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

Systemtic Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-2-[(2-methylphenyl)methyl]isoindol-1-one Openeye Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-2-(o-tolylmethyl)isoindolin-1-one CAS Name: 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,3-dimethyl-2-[(2-methylphenyl)methyl]-1-isoindolone IUPAC Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-2-[(2-methylphenyl)methyl]isoindol-1-one Traditional Name: 6-[4-(3,3-diphenylpropyl)piperazino]-3,3-dimethyl-2-(2-methylbenzyl)isoindolin-1-one Formula: C37H41N3O MolecularWeight: 543.74094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(C2(C)C)C=CC(=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(C2(C)C)C=CC(=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H41N3O/c1-28-12-10-11-17-31(28)27-40-36(41)34-26-32(18-19-35(34)37(40,2)3)39-24-22-38(23-25-39)21-20-33(29-13-6-4-7-14-29)30-15-8-5-9-16-30/h4-19,26,33H,20-25,27H2,1-3H3