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

Systemtic Name: 2-[5-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[2-nitro-5-(4-p-anisoylpiperazino)phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C33H29N5O5 MolecularWeight: 575.61386

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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)OC)[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)OC)[N+](=O)[O-]

InChI

InChI=1S/C33H29N5O5/c1-22-7-9-23(10-8-22)31-27-5-3-4-6-28(27)33(40)37(34-31)30-21-25(13-16-29(30)38(41)42)35-17-19-36(20-18-35)32(39)24-11-14-26(43-2)15-12-24/h3-16,21H,17-20H2,1-2H3