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

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-methylphenyl)-4-oxidanylidene-1-(2-phenoxyethanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-4-oxo-1-(2-phenoxyacetyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-(1-oxo-2-phenoxyethyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-(2-phenoxyacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-4-keto-1-(2-phenoxyacetyl)-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)COC4=CC=CC=C4)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)COC4=CC=CC=C4)C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C31H34N4O4/c1-20-11-13-21(14-12-20)28-18-29(36)33-26-17-22(31(38)34-25-10-6-5-9-24(25)32)15-16-27(26)35(28)30(37)19-39-23-7-3-2-4-8-23/h2-4,7-8,11-17,24-25,28H,5-6,9-10,18-19,32H2,1H3,(H,33,36)(H,34,38)