2-[5-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-(4-m-toluoylpiperazino)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C32H27N5O4 MolecularWeight: 545.58788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H27N5O4/c1-22-8-7-11-24(20-22)31(38)35-18-16-34(17-19-35)25-14-15-28(37(40)41)29(21-25)36-32(39)27-13-6-5-12-26(27)30(33-36)23-9-3-2-4-10-23/h2-15,20-21H,16-19H2,1H3