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Benzene and substituted derivatives

Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Benzamides (20)
Hydroxybenzoic Acid Derivatives (18)
Phenoxy compounds (13)
Diphenylmethanes (10)
Trifluoromethylbenzenes (7)
Aminobenzoic acids and derivatives (6)
Fluorobenzenes (6)
Cumenes (5)
Phenylbutylamines (4)
Benzenesulfonamides (3)
Anilides (2)
Benzophenones (2)
Diphenylethers (2)
Nitrobenzoic acids and derivatives (2)
N-phenylthioureas (2)
Phenylcarbamic acid esters (2)
Phenylpropylamines (2)
Sulfanilides (2)
Benzyl Derivatives (2)
N-phenylureas (1)
Phenylacetic acids (1)
Phenylphosphines and derivatives (1)
Thiobenzoic acids and derivatives (1)

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1 – 15 of 88 results
1

Fenoprefen calcium salt, Hydrate, MP Biomedicals™

CAS: 53746-45-5 Molecular Formula: C30H30CaO8 Molecular Weight (g/mol): 558.64 MDL Number: MFCD00242722 InChI Key: LZPBLUATTGKZBH-UHFFFAOYSA-L Synonym: fenopron,nalgesic,calcium-2-m-phenoxyphenyl propionate, hydrate,fenoprofen calcium salt,dl-2-3-phenoxyphenyl-propionic acid calcium salt, hydrate.,fenoprofen calcium;phenyloxy brufen,calcium salt,2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate dihydrate,dihydrate 2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate PubChem CID: 44119558 ChEBI: CHEBI:5005 IUPAC Name: calcium;2-(3-phenoxyphenyl)propanoate;dihydrate SMILES: CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2]

PubChem CID 44119558
CAS 53746-45-5
Molecular Weight (g/mol) 558.64
ChEBI CHEBI:5005
MDL Number MFCD00242722
SMILES CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2]
Synonym fenopron,nalgesic,calcium-2-m-phenoxyphenyl propionate, hydrate,fenoprofen calcium salt,dl-2-3-phenoxyphenyl-propionic acid calcium salt, hydrate.,fenoprofen calcium;phenyloxy brufen,calcium salt,2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate dihydrate,dihydrate 2-3-phenoxyphenyl propanoyl oxy calcio 2-3-phenoxyphenyl propanoate
IUPAC Name calcium;2-(3-phenoxyphenyl)propanoate;dihydrate
InChI Key LZPBLUATTGKZBH-UHFFFAOYSA-L
Molecular Formula C30H30CaO8
2

Leucovorin Calcium, USP, 95-105%, Spectrum™ Chemical
SDP

CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L IUPAC Name: calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

CAS 1492-18-8
Molecular Weight (g/mol) 511.51
MDL Number MFCD00006704
SMILES [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
IUPAC Name calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate
InChI Key KVUAALJSMIVURS-AEQORCIRNA-L
Molecular Formula C20H21CaN7O7
3

Folinic acid, calcium salt, 99.4%, MP Biomedicals™

CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

PubChem CID 131675590
CAS 1492-18-8
Molecular Weight (g/mol) 511.51
MDL Number MFCD00006704
SMILES [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
Synonym calcium folinate
InChI Key KVUAALJSMIVURS-AEQORCIRNA-L
Molecular Formula C20H21CaN7O7
4

Folinic acid, calcium salt pentahydrate, 95.0-105.0%, Thermo Scientific Chemicals

CAS: 6035-45-6 Molecular Formula: C20H21CaN7O7·5H2O Molecular Weight (g/mol): 601.58 MDL Number: MFCD00149465 InChI Key: NPPBLUASYYNAIG-UHFFFAOYSA-L Synonym: folinic acid calcium pentahydrate PubChem CID: 131674093 IUPAC Name: calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate SMILES: C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]

PubChem CID 131674093
CAS 6035-45-6
Molecular Weight (g/mol) 601.58
MDL Number MFCD00149465
SMILES C1C(N(C2=C(N1)N=C(N=C2[O-])N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O.O.O.O.O.O.[Ca+2]
Synonym folinic acid calcium pentahydrate
IUPAC Name calcium;4-[[4-[(2-amino-5-formyl-4-oxido-7,8-dihydro-6H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;pentahydrate
InChI Key NPPBLUASYYNAIG-UHFFFAOYSA-L
Molecular Formula C20H21CaN7O7·5H2O
5

Calcium Folinate Hydrate 98.0+%, TCI America™
SDP

CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 IUPAC Name: calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

PubChem CID 131675590
CAS 1492-18-8
Molecular Weight (g/mol) 511.51
MDL Number MFCD00006704
SMILES [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
Synonym calcium folinate
IUPAC Name calcium (2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate
InChI Key KVUAALJSMIVURS-AEQORCIRNA-L
Molecular Formula C20H21CaN7O7
7

Fendiline hydrochloride

CAS: 13636-18-5 Molecular Formula: C23H26ClN Molecular Weight (g/mol): 351.918 MDL Number: MFCD00079301 InChI Key: NJXWZWXCHBNOOG-UHFFFAOYSA-N Synonym: fendiline hydrochloride,fendiline hcl,dsstox_cid_25860,dsstox_rid_81180,dsstox_gsid_45860,3,3-diphenyl-n-1-phenylethyl propan-1-amine hydrochloride,prestwick_568,sensit tn PubChem CID: 5702162 IUPAC Name: 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride SMILES: CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

PubChem CID 5702162
CAS 13636-18-5
Molecular Weight (g/mol) 351.918
MDL Number MFCD00079301
SMILES CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Synonym fendiline hydrochloride,fendiline hcl,dsstox_cid_25860,dsstox_rid_81180,dsstox_gsid_45860,3,3-diphenyl-n-1-phenylethyl propan-1-amine hydrochloride,prestwick_568,sensit tn
IUPAC Name 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride
InChI Key NJXWZWXCHBNOOG-UHFFFAOYSA-N
Molecular Formula C23H26ClN
8

Flunarizine dihydrochloride, 99%

CAS: 30484-77-6 Molecular Formula: C26H28Cl2F2N2 Molecular Weight (g/mol): 477.42 MDL Number: MFCD00058198 InChI Key: RXKMOPXNWTYEHI-RDRKJGRWSA-N Synonym: flunarizine dihydrochloride,flunarizine hydrochloride,flunarizine 2hcl,flunarizine hcl,flunarizine hydrochloride usan:jan,1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis-p-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-3-phenyl-2-propenyl piperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride PubChem CID: 5282407 IUPAC Name: dihydrogen 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dichloride SMILES: [H+].[H+].[Cl-].[Cl-].FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1

PubChem CID 5282407
CAS 30484-77-6
Molecular Weight (g/mol) 477.42
MDL Number MFCD00058198
SMILES [H+].[H+].[Cl-].[Cl-].FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
Synonym flunarizine dihydrochloride,flunarizine hydrochloride,flunarizine 2hcl,flunarizine hcl,flunarizine hydrochloride usan:jan,1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis-p-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-3-phenyl-2-propenyl piperazine dihydrochloride,e-1-bis 4-fluorophenyl methyl-4-cinnamylpiperazine dihydrochloride
IUPAC Name dihydrogen 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine dichloride
InChI Key RXKMOPXNWTYEHI-RDRKJGRWSA-N
Molecular Formula C26H28Cl2F2N2
9

Tolfenamic acid, 99+%, Thermo Scientific Chemicals

CAS: 13710-19-5 Molecular Formula: C14H12ClNO2 Molecular Weight (g/mol): 261.705 MDL Number: MFCD00133865 InChI Key: YEZNLOUZAIOMLT-UHFFFAOYSA-N Synonym: tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid PubChem CID: 610479 ChEBI: CHEBI:32243 IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid SMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

PubChem CID 610479
CAS 13710-19-5
Molecular Weight (g/mol) 261.705
ChEBI CHEBI:32243
MDL Number MFCD00133865
SMILES CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O
Synonym tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid
IUPAC Name 2-(3-chloro-2-methylanilino)benzoic acid
InChI Key YEZNLOUZAIOMLT-UHFFFAOYSA-N
Molecular Formula C14H12ClNO2
10

R 568 hydrochloride, Tocris Bioscience™
GREENER_CHOICE

CAS: 177172-49-5 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 InChI Key: YJXUXANREVNZLH-PFEQFJNWSA-N Synonym: r 568 hydrochloride,tecalcet hydrochloride,tecalcet hcl,norcalcin,unii-3hp28r98lc,tecalcet hydrochloride usan,r-3-2-chlorophenyl-n-1-3-methoxyphenyl ethyl propan-1-amine hydrochloride,3-2-chlorophenyl propyl 1r-1-3-methoxyphenyl ethyl amine hydrochloride PubChem CID: 158796 IUPAC Name: 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine;hydrochloride SMILES: CC(C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl.Cl

PubChem CID 158796
CAS 177172-49-5
Molecular Weight (g/mol) 340.288
SMILES CC(C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl.Cl
Synonym r 568 hydrochloride,tecalcet hydrochloride,tecalcet hcl,norcalcin,unii-3hp28r98lc,tecalcet hydrochloride usan,r-3-2-chlorophenyl-n-1-3-methoxyphenyl ethyl propan-1-amine hydrochloride,3-2-chlorophenyl propyl 1r-1-3-methoxyphenyl ethyl amine hydrochloride
IUPAC Name 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine;hydrochloride
InChI Key YJXUXANREVNZLH-PFEQFJNWSA-N
Molecular Formula C18H23Cl2NO
11

L-651,582, Tocris Bioscience™
GREENER_CHOICE

CAS: 99519-84-3 Molecular Formula: C17H12Cl3N5O2 Molecular Weight (g/mol): 424.67 MDL Number: MFCD00866325 InChI Key: WNRZHQBJSXRYJK-UHFFFAOYSA-N Synonym: carboxyamidotriazole,carboxyamido-triazole,5-amino-1-3,5-dichloro-4-4-chlorobenzoyl benzyl-1h-1,2,3-triazole-4-carboxamide,cai,4-cai,unii-6st3zf52wb,6st3zf52wb,5-amino-1-3,5-dichloro-4-4-chlorobenzoyl phenyl methyl triazole-4-carboxamide,1h-1,2,3-triazole-4-carboxamide, 5-amino-1-3,5-dichloro-4-4-chlorobenzoyl phenyl methyl,5-amino-1-3,5-dichloro-4-4-chlorobenzoyl phenyl methyl-1h-1,2,3-triazole-4-carboxamide PubChem CID: 108144 IUPAC Name: 5-amino-1-{[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(CC2=CC(Cl)=C(C(=O)C3=CC=C(Cl)C=C3)C(Cl)=C2)N=N1

PubChem CID 108144
CAS 99519-84-3
Molecular Weight (g/mol) 424.67
MDL Number MFCD00866325
SMILES NC(=O)C1=C(N)N(CC2=CC(Cl)=C(C(=O)C3=CC=C(Cl)C=C3)C(Cl)=C2)N=N1
Synonym carboxyamidotriazole,carboxyamido-triazole,5-amino-1-3,5-dichloro-4-4-chlorobenzoyl benzyl-1h-1,2,3-triazole-4-carboxamide,cai,4-cai,unii-6st3zf52wb,6st3zf52wb,5-amino-1-3,5-dichloro-4-4-chlorobenzoyl phenyl methyl triazole-4-carboxamide,1h-1,2,3-triazole-4-carboxamide, 5-amino-1-3,5-dichloro-4-4-chlorobenzoyl phenyl methyl,5-amino-1-3,5-dichloro-4-4-chlorobenzoyl phenyl methyl-1h-1,2,3-triazole-4-carboxamide
IUPAC Name 5-amino-1-{[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
InChI Key WNRZHQBJSXRYJK-UHFFFAOYSA-N
Molecular Formula C17H12Cl3N5O2
12

Calmidazolium chloride, Tocris Bioscience™
GSA_VA GREENER_CHOICE

CAS: 57265-65-3 Molecular Formula: C31H23Cl7N2O Molecular Weight (g/mol): 687.688 InChI Key: YGEIMSMISRCBFF-UHFFFAOYSA-M Synonym: calmidazolium chloride,1-bis 4-chlorophenyl methyl-3-2-2,4-dichlorophenyl-2-2,4-dichlorophenyl methoxy ethyl imidazol-1-ium chloride,3-bis 4-chlorophenyl methyl-1-2-2,4-dichlorophenyl-2-2,4-dichlorophenyl methoxy ethyl imidazol-1-ium chloride,r 24571 chloride,methoxy ethyl-, chloride,methoxy ethyl-, chloride,calmidazolium chloride, solid,1-bis 4-chlorophenyl methyl-3-2,4-dichloro-,a-2,4-dichlorobenzyloxy phenethyl imidazolium chloride,1-bis 4-chlorophenyl methyl-3-2,4-dichloro-beta-2,4-dichlorobenzyloxy phenethyl imidazolium chloride,1-bis 4-chlorophenyl methyl-3-2,4-dichloro-beta-2,4-dichlorobenzyloxy phenethyl imidazolium chloride PubChem CID: 644274 IUPAC Name: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium;chloride SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl.[Cl-]

PubChem CID 644274
CAS 57265-65-3
Molecular Weight (g/mol) 687.688
SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl.[Cl-]
Synonym calmidazolium chloride,1-bis 4-chlorophenyl methyl-3-2-2,4-dichlorophenyl-2-2,4-dichlorophenyl methoxy ethyl imidazol-1-ium chloride,3-bis 4-chlorophenyl methyl-1-2-2,4-dichlorophenyl-2-2,4-dichlorophenyl methoxy ethyl imidazol-1-ium chloride,r 24571 chloride,methoxy ethyl-, chloride,methoxy ethyl-, chloride,calmidazolium chloride, solid,1-bis 4-chlorophenyl methyl-3-2,4-dichloro-,a-2,4-dichlorobenzyloxy phenethyl imidazolium chloride,1-bis 4-chlorophenyl methyl-3-2,4-dichloro-beta-2,4-dichlorobenzyloxy phenethyl imidazolium chloride,1-bis 4-chlorophenyl methyl-3-2,4-dichloro-beta-2,4-dichlorobenzyloxy phenethyl imidazolium chloride
IUPAC Name 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium;chloride
InChI Key YGEIMSMISRCBFF-UHFFFAOYSA-M
Molecular Formula C31H23Cl7N2O
13

(S)-(-)-Bay K 8644, Tocris Bioscience™
GREENER_CHOICE

CAS: 98625-26-4 Molecular Formula: C16H15F3N2O4 Molecular Weight (g/mol): 356.301 InChI Key: ZFLWDHHVRRZMEI-ZDUSSCGKSA-N PubChem CID: 6603728 IUPAC Name: methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

PubChem CID 6603728
CAS 98625-26-4
Molecular Weight (g/mol) 356.301
SMILES CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
IUPAC Name methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
InChI Key ZFLWDHHVRRZMEI-ZDUSSCGKSA-N
Molecular Formula C16H15F3N2O4
14

(+/-)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
15

L 006235, Tocris Bioscience™
GSA_VA GREENER_CHOICE

CAS: 294623-49-7 Molecular Formula: C24H30N6O2S Molecular Weight (g/mol): 466.604 InChI Key: FIVYCSWOCXEWSE-UHFFFAOYSA-N Synonym: n-1-cyanomethyl carbamoyl cyclohexyl-4-2-4-methylpiperazin-1-yl thiazol-4-yl benzamide,n-1-cyanomethyl amino carbonyl cyclohexyl-4-2-4-methyl-1-piperazinyl-4-thiazolyl benzamide,d0z0pr,basic piperazine-containing compound, 1,n-1-cyanomethyl carbamoyl cyclohexyl-4-2-4-methylpiperazin-1-yl-1,3-thiazol-4-yl benzamide PubChem CID: 9912381 IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide SMILES: CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N

PubChem CID 9912381
CAS 294623-49-7
Molecular Weight (g/mol) 466.604
SMILES CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N
Synonym n-1-cyanomethyl carbamoyl cyclohexyl-4-2-4-methylpiperazin-1-yl thiazol-4-yl benzamide,n-1-cyanomethyl amino carbonyl cyclohexyl-4-2-4-methyl-1-piperazinyl-4-thiazolyl benzamide,d0z0pr,basic piperazine-containing compound, 1,n-1-cyanomethyl carbamoyl cyclohexyl-4-2-4-methylpiperazin-1-yl-1,3-thiazol-4-yl benzamide
IUPAC Name N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
InChI Key FIVYCSWOCXEWSE-UHFFFAOYSA-N
Molecular Formula C24H30N6O2S