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

Systemtic Name: N-methyl-N-[2-(methylamino)ethyl]-1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-methyl-N-[2-(methylamino)ethyl]-1-(4-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-methyl-N-[2-(methylamino)ethyl]-1-[(4-nitrophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-methyl-N-[2-(methylamino)ethyl]-1-(4-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-(4-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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

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