6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-2H-isoindol-1-one

Systemtic Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-2H-isoindol-1-one Openeye Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-isoindolin-1-one CAS Name: 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,3-dimethyl-2H-isoindol-1-one IUPAC Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-2H-isoindol-1-one Traditional Name: 6-[4-(3,3-diphenylpropyl)piperazino]-3,3-dimethyl-isoindolin-1-one Formula: C29H33N3O MolecularWeight: 439.59182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N1)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N1)C

InChI

InChI=1S/C29H33N3O/c1-29(2)27-14-13-24(21-26(27)28(33)30-29)32-19-17-31(18-20-32)16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,21,25H,15-20H2,1-2H3,(H,30,33)