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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-ethoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-ethoxyphenyl)methyl]isoindolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(4-ethoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-ethoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(4-ethoxybenzyl)isoindolin-1-one Formula: C36H39N3O2 MolecularWeight: 545.71376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H39N3O2/c1-2-41-31-19-17-28(18-20-31)27-39-35(33-15-9-10-16-34(33)36(39)40)38-25-23-37(24-26-38)22-21-32(29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-20,32,35H,2,21-27H2,1H3