N-(3-azanyl-2,2-dimethyl-propyl)-2-cyclohexyl-1-(4-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-(4-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-(4-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-1-[(4-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-1-(4-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-(4-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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H35N5O5/c1-28(2,16-29)17-30-26(35)20-10-13-23-22(14-20)31-25(34)15-24(18-6-4-3-5-7-18)32(23)27(36)19-8-11-21(12-9-19)33(37)38/h8-14,18,24H,3-7,15-17,29H2,1-2H3,(H,30,35)(H,31,34)