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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=C(C=C6)Cl

InChI

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