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

Systemtic Name: N-(2-azanylethyl)-2-cyclohexyl-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-2-cyclohexyl-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-2-cyclohexyl-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-2-cyclohexyl-4-keto-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NCCN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NCCN

InChI

InChI=1S/C25H29N5O5/c26-11-12-27-24(32)17-9-10-21-20(14-17)28-23(31)15-22(16-5-2-1-3-6-16)29(21)25(33)18-7-4-8-19(13-18)30(34)35/h4,7-10,13-14,16,22H,1-3,5-6,11-12,15,26H2,(H,27,32)(H,28,31)