4-(4-methylphenyl)-2-[2-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[2-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 2-[5-(4-benzoylpiperazin-1-yl)-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-(4-benzoyl-1-piperazinyl)-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-(4-benzoylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-(4-benzoylpiperazino)-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C32H27N5O4 MolecularWeight: 545.58788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H27N5O4/c1-22-11-13-23(14-12-22)30-26-9-5-6-10-27(26)32(39)36(33-30)29-21-25(15-16-28(29)37(40)41)34-17-19-35(20-18-34)31(38)24-7-3-2-4-8-24/h2-16,21H,17-20H2,1H3