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

Systemtic Name: N-(2-azanylcyclohexyl)-2-cyclohexyl-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-cyclohexyl-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-2-cyclohexyl-4-keto-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C29H35N5O5/c30-22-11-4-5-12-23(22)32-28(36)19-13-14-25-24(16-19)31-27(35)17-26(18-7-2-1-3-8-18)33(25)29(37)20-9-6-10-21(15-20)34(38)39/h6,9-10,13-16,18,22-23,26H,1-5,7-8,11-12,17,30H2,(H,31,35)(H,32,36)