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

Systemtic Name: 2-[5-(4-ethanoylpiperazin-1-yl)-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-(4-acetyl-1-piperazinyl)-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-(4-acetylpiperazino)-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H25N5O4 MolecularWeight: 483.5185

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

InChI

InChI=1S/C27H25N5O4/c1-18-7-9-20(10-8-18)26-22-5-3-4-6-23(22)27(34)31(28-26)25-17-21(11-12-24(25)32(35)36)30-15-13-29(14-16-30)19(2)33/h3-12,17H,13-16H2,1-2H3