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

Systemtic Name: 2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(m-tolyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(m-tolyl)piperazino]methyl]phthalazin-1-one Formula: C20H22N4O MolecularWeight: 334.41488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)23-11-9-22(10-12-23)15-24-20(25)19-8-3-2-6-17(19)14-21-24/h2-8,13-14H,9-12,15H2,1H3