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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=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=CC=C1C(=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/c1-21-6-2-3-7-25(21)31(39)36-18-16-35(17-19-36)24-14-15-28(38(41)42)29(20-24)37-32(40)27-9-5-4-8-26(27)30(34-37)22-10-12-23(33)13-11-22/h2-15,20H,16-19H2,1H3