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

Systemtic Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-(2-chlorophenyl)piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H25ClN4O MolecularWeight: 444.9559

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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=CC=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H25ClN4O/c1-19-10-12-20(13-11-19)25-21-6-2-3-7-22(21)26(32)31(28-25)18-29-14-16-30(17-15-29)24-9-5-4-8-23(24)27/h2-13H,14-18H2,1H3