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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C35H37N3O2/c1-40-32-16-12-27(13-17-32)25-38-26-30-14-15-31(24-34(30)35(38)39)37-22-20-36(21-23-37)19-18-33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-17,24,33H,18-23,25-26H2,1H3