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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC1CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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