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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[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)CN2C(C3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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