2-[5-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[5-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-[4-(4-chlorobenzoyl)piperazino]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C32H26ClN5O4 MolecularWeight: 580.03294

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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=C(C=C6)Cl)[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=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C32H26ClN5O4/c1-21-6-8-22(9-7-21)30-26-4-2-3-5-27(26)32(40)37(34-30)29-20-25(14-15-28(29)38(41)42)35-16-18-36(19-17-35)31(39)23-10-12-24(33)13-11-23/h2-15,20H,16-19H2,1H3