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

Systemtic Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methyl]isoindolin-1-one CAS Name: 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(3-methoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 6-[4-(3,3-diphenylpropyl)piperazino]-2-m-anisyl-isoindolin-1-one Formula: C35H37N3O2 MolecularWeight: 531.68718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H37N3O2/c1-40-32-14-8-9-27(23-32)25-38-26-30-15-16-31(24-34(30)35(38)39)37-21-19-36(20-22-37)18-17-33(28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-16,23-24,33H,17-22,25-26H2,1H3