2-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-(4-acetylphenyl)piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C28H28N4O2/c1-20-7-9-23(10-8-20)27-25-5-3-4-6-26(25)28(34)32(29-27)19-30-15-17-31(18-16-30)24-13-11-22(12-14-24)21(2)33/h3-14H,15-19H2,1-2H3