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

Systemtic Name: 2-(cycloheptylmethyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-(cycloheptylmethyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]isoindolin-1-one CAS Name: 2-(cycloheptylmethyl)-6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-(cycloheptylmethyl)-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-(cycloheptylmethyl)-6-[4-(3,3-diphenylpropyl)piperazino]isoindolin-1-one Formula: C35H43N3O MolecularWeight: 521.73542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCCC(CC1)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H43N3O/c39-35-34-25-32(18-17-31(34)27-38(35)26-28-11-5-1-2-6-12-28)37-23-21-36(22-24-37)20-19-33(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h3-4,7-10,13-18,25,28,33H,1-2,5-6,11-12,19-24,26-27H2