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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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