7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-1-(3-nitrophenyl)carbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-1-(3-nitrophenyl)carbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-1-(3-nitrobenzoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-methylphenyl)-1-[(3-nitrophenyl)-oxomethyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-2-(4-methylphenyl)-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-1-(3-nitrobenzoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H29N5O5 MolecularWeight: 527.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)N5CCCNCC5

InChI

InChI=1S/C29H29N5O5/c1-19-6-8-20(9-7-19)26-18-27(35)31-24-17-22(28(36)32-14-3-12-30-13-15-32)10-11-25(24)33(26)29(37)21-4-2-5-23(16-21)34(38)39/h2,4-11,16-17,26,30H,3,12-15,18H2,1H3,(H,31,35)