N-(2-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3-methoxybenzoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-4-keto-1-m-anisoyl-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H34N4O4 MolecularWeight: 526.62606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)OC)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)OC)C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C31H34N4O4/c1-19-10-12-20(13-11-19)28-18-29(36)33-26-17-21(30(37)34-25-9-4-3-8-24(25)32)14-15-27(26)35(28)31(38)22-6-5-7-23(16-22)39-2/h5-7,10-17,24-25,28H,3-4,8-9,18,32H2,1-2H3,(H,33,36)(H,34,37)