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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-methoxyphenyl)isoindolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(4-methoxyphenyl)isoindolin-1-one Formula: C34H35N3O2 MolecularWeight: 517.6606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H35N3O2/c1-39-29-18-16-28(17-19-29)37-33(31-14-8-9-15-32(31)34(37)38)36-24-22-35(23-25-36)21-20-30(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-19,30,33H,20-25H2,1H3