4-(4-methylphenyl)-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(3-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(=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)CC5=CC=CC(=C5)C

InChI

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