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

Systemtic Name: 4-(4-chlorophenyl)-2-[5-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[5-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(4-p-anisoylpiperazino)phenyl]phthalazin-1-one Formula: C32H26ClN5O5 MolecularWeight: 596.03234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C32H26ClN5O5/c1-43-25-13-8-22(9-14-25)31(39)36-18-16-35(17-19-36)24-12-15-28(38(41)42)29(20-24)37-32(40)27-5-3-2-4-26(27)30(34-37)21-6-10-23(33)11-7-21/h2-15,20H,16-19H2,1H3