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

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-methylphenyl)-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-4-oxo-1-(3-phenylpropanoyl)-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-3-phenylpropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-hydrocinnamoyl-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C32H36N4O3 MolecularWeight: 524.65324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C32H36N4O3/c1-21-11-14-23(15-12-21)29-20-30(37)34-27-19-24(32(39)35-26-10-6-5-9-25(26)33)16-17-28(27)36(29)31(38)18-13-22-7-3-2-4-8-22/h2-4,7-8,11-12,14-17,19,25-26,29H,5-6,9-10,13,18,20,33H2,1H3,(H,34,37)(H,35,39)