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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C2(C)C)C=CC(=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=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(29-13-7-4-8-14-29)40-36(41)34-27-32(19-20-35(34)37(40,2)3)39-25-23-38(24-26-39)22-21-33(30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-20,27-28,33H,21-26H2,1-3H3