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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-4-keto-1-(3-nitrobenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H29N5O5 MolecularWeight: 527.57106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O5/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/h1-3,6-10,13-16,22-23,26H,4-5,11-12,17,30H2,(H,31,35)(H,32,36)