2-(1,3-benzodioxol-5-yl)-4-[3-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[3-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[3-(4-phenylpiperazine-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[3-(4-phenylpiperazine-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C(=O)N6CCN(CC6)C7=CC=CC=C7

Isomeric SMILES

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C(=O)N6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C31H30N4O5/c36-29(33-16-14-32(15-17-33)22-7-2-1-3-8-22)21-6-5-13-34(19-21)25-10-4-9-24-28(25)31(38)35(30(24)37)23-11-12-26-27(18-23)40-20-39-26/h1-4,7-12,18,21H,5-6,13-17,19-20H2