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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[4-(2-pyridyl)piperazine-1-carbonyl]-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-piperonyl-4-[4-[4-(2-pyridyl)piperazine-1-carbonyl]piperidino]isoindoline-1,3-quinone Formula: C31H31N5O5 MolecularWeight: 553.60834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C31H31N5O5/c37-29(35-16-14-34(15-17-35)27-6-1-2-11-32-27)22-9-12-33(13-10-22)24-5-3-4-23-28(24)31(39)36(30(23)38)19-21-7-8-25-26(18-21)41-20-40-25/h1-8,11,18,22H,9-10,12-17,19-20H2