4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(azocane-1-carbonyl)-1-piperidyl]-2-(1,3-benzodioxol-5-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[1-azocanyl(oxo)methyl]-1-piperidinyl]-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(azocane-1-carbonyl)piperidin-1-yl]-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(azocane-1-carbonyl)piperidino]-2-piperonyl-isoindoline-1,3-quinone Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H33N3O5/c33-27(31-13-4-2-1-3-5-14-31)21-11-15-30(16-12-21)23-8-6-7-22-26(23)29(35)32(28(22)34)18-20-9-10-24-25(17-20)37-19-36-24/h6-10,17,21H,1-5,11-16,18-19H2