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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1CN2CC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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