N-methyl-N-[2-(methylamino)ethyl]-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-methyl-N-[2-(methylamino)ethyl]-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-methyl-N-[2-(methylamino)ethyl]-1-(3-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-methyl-N-[2-(methylamino)ethyl]-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-methyl-N-[2-(methylamino)ethyl]-1-(3-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: 4-keto-N-methyl-N-[2-(methylamino)ethyl]-1-(3-nitrobenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CNCCN(C)C(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNCCN(C)C(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O5/c1-28-13-14-30(2)26(34)20-11-12-23-22(16-20)29-25(33)17-24(18-7-4-3-5-8-18)31(23)27(35)19-9-6-10-21(15-19)32(36)37/h3-12,15-16,24,28H,13-14,17H2,1-2H3,(H,29,33)