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

Systemtic Name: 4-(4-methylphenyl)-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-methylbenzyl)piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C28H30N4O MolecularWeight: 438.564

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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)CC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)CC5=CC=CC=C5C

InChI

InChI=1S/C28H30N4O/c1-21-11-13-23(14-12-21)27-25-9-5-6-10-26(25)28(33)32(29-27)20-31-17-15-30(16-18-31)19-24-8-4-3-7-22(24)2/h3-14H,15-20H2,1-2H3