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

Systemtic Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-2-(phenylmethyl)isoindol-1-one Openeye Name: 2-benzyl-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethyl-isoindolin-1-one CAS Name: 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,3-dimethyl-2-(phenylmethyl)-1-isoindolone IUPAC Name: 2-benzyl-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,3-dimethylisoindol-1-one Traditional Name: 2-benzyl-6-[4-(3,3-diphenylpropyl)piperazino]-3,3-dimethyl-isoindolin-1-one Formula: C36H39N3O MolecularWeight: 529.71436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N1CC6=CC=CC=C6)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N1CC6=CC=CC=C6)C

InChI

InChI=1S/C36H39N3O/c1-36(2)34-19-18-31(26-33(34)35(40)39(36)27-28-12-6-3-7-13-28)38-24-22-37(23-25-38)21-20-32(29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-19,26,32H,20-25,27H2,1-2H3