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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-2-cyclohexyl-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-2-cyclohexyl-4-keto-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H35N5O5/c1-28(2,16-29)17-30-26(35)19-11-12-23-22(14-19)31-25(34)15-24(18-7-4-3-5-8-18)32(23)27(36)20-9-6-10-21(13-20)33(37)38/h6,9-14,18,24H,3-5,7-8,15-17,29H2,1-2H3,(H,30,35)(H,31,34)