2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2,2-diphenylethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2,2-diphenylethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2,2-diphenylethyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2,2-diphenylethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2,2-diphenylethyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(2,2-diphenylethyl)piperazino]-2-piperonyl-isoindoline-1,3-quinone Formula: C34H31N3O4 MolecularWeight: 545.62764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCN1CC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C34H31N3O4/c38-33-27-12-7-13-29(32(27)34(39)37(33)21-24-14-15-30-31(20-24)41-23-40-30)36-18-16-35(17-19-36)22-28(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-15,20,28H,16-19,21-23H2