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

Systemtic Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-ethoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-ethoxyphenyl)methyl]isoindolin-1-one CAS Name: 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(4-ethoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-ethoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 6-[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)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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