2-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenyl-isoindol-1-one

Systemtic Name: 2-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenyl-isoindol-1-one Openeye Name: 3-(4-methylpiperazin-1-yl)-3-phenyl-2-(p-tolyl)isoindolin-1-one CAS Name: 2-(4-methylphenyl)-3-(4-methyl-1-piperazinyl)-3-phenyl-1-isoindolone IUPAC Name: 2-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylisoindol-1-one Traditional Name: 3-(4-methylpiperazino)-3-phenyl-2-(p-tolyl)isoindolin-1-one Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N5CCN(CC5)C

InChI

InChI=1S/C26H27N3O/c1-20-12-14-22(15-13-20)29-25(30)23-10-6-7-11-24(23)26(29,21-8-4-3-5-9-21)28-18-16-27(2)17-19-28/h3-15H,16-19H2,1-2H3