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

Systemtic Name: 2-(4-methylphenyl)-1-(3-nitrophenyl)carbonyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3-nitrobenzoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-methylphenyl)-1-[(3-nitrophenyl)-oxomethyl]-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-methylphenyl)-1-(3-nitrobenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(3-nitrobenzoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H27N5O5 MolecularWeight: 513.54448

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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)N5CCNCC5

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)N5CCNCC5

InChI

InChI=1S/C28H27N5O5/c1-18-5-7-19(8-6-18)25-17-26(34)30-23-16-21(27(35)31-13-11-29-12-14-31)9-10-24(23)32(25)28(36)20-3-2-4-22(15-20)33(37)38/h2-10,15-16,25,29H,11-14,17H2,1H3,(H,30,34)