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

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-methylphenyl)-1-(4-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(4-nitrobenzoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-1-[(4-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-1-(4-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-4-keto-1-(4-nitrobenzoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H31N5O5 MolecularWeight: 541.59764

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=C(C=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C30H31N5O5/c1-18-6-8-19(9-7-18)27-17-28(36)32-25-16-21(29(37)33-24-5-3-2-4-23(24)31)12-15-26(25)34(27)30(38)20-10-13-22(14-11-20)35(39)40/h6-16,23-24,27H,2-5,17,31H2,1H3,(H,32,36)(H,33,37)