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

Systemtic Name: 2-cyclopropyl-6-[4-(4,4-diphenylbutyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-cyclopropyl-6-[4-(4,4-diphenylbutyl)piperazin-1-yl]isoindolin-1-one CAS Name: 2-cyclopropyl-6-[4-(4,4-diphenylbutyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-cyclopropyl-6-[4-(4,4-diphenylbutyl)piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-cyclopropyl-6-[4-(4,4-diphenylbutyl)piperazino]isoindolin-1-one Formula: C31H35N3O MolecularWeight: 465.6291

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC1N2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H35N3O/c35-31-30-22-28(14-13-26(30)23-34(31)27-15-16-27)33-20-18-32(19-21-33)17-7-12-29(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-11,13-14,22,27,29H,7,12,15-21,23H2