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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-phenylpiperidin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-phenylpiperidine-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-[oxo-(4-phenyl-1-piperidinyl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(4-phenylpiperidine-1-carbonyl)piperidino]-2-piperonyl-isoindoline-1,3-quinone Formula: C33H33N3O5 MolecularWeight: 551.63222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C33H33N3O5/c37-31(35-17-11-24(12-18-35)23-5-2-1-3-6-23)25-13-15-34(16-14-25)27-8-4-7-26-30(27)33(39)36(32(26)38)20-22-9-10-28-29(19-22)41-21-40-28/h1-10,19,24-25H,11-18,20-21H2