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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(2-oxidanylcyclohexyl)-3H-isoindol-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(2-hydroxycyclohexyl)isoindolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(2-hydroxycyclohexyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(2-hydroxycyclohexyl)-3H-isoindol-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(2-hydroxycyclohexyl)isoindolin-1-one Formula: C33H39N3O2 MolecularWeight: 509.68166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

C1CCC(C(C1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C33H39N3O2/c37-31-18-10-9-17-30(31)36-32(28-15-7-8-16-29(28)33(36)38)35-23-21-34(22-24-35)20-19-27(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,11-16,27,30-32,37H,9-10,17-24H2