2-(3-methylphenyl)-3-phenyl-3-piperidin-1-yl-isoindol-1-one

Systemtic Name: 2-(3-methylphenyl)-3-phenyl-3-piperidin-1-yl-isoindol-1-one Openeye Name: 2-(m-tolyl)-3-phenyl-3-(1-piperidyl)isoindolin-1-one CAS Name: 2-(3-methylphenyl)-3-phenyl-3-(1-piperidinyl)-1-isoindolone IUPAC Name: 2-(3-methylphenyl)-3-phenyl-3-piperidin-1-ylisoindol-1-one Traditional Name: 2-(m-tolyl)-3-phenyl-3-piperidino-isoindolin-1-one Formula: C26H26N2O MolecularWeight: 382.49744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C26H26N2O/c1-20-11-10-14-22(19-20)28-25(29)23-15-6-7-16-24(23)26(28,21-12-4-2-5-13-21)27-17-8-3-9-18-27/h2,4-7,10-16,19H,3,8-9,17-18H2,1H3