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

Systemtic Name: 4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(azocane-1-carbonyl)-1-piperidyl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[1-azocanyl(oxo)methyl]-1-piperidinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(azocane-1-carbonyl)piperidin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(azocane-1-carbonyl)piperidino]-2-(2-pyridylmethyl)isoindoline-1,3-quinone Formula: C27H32N4O3 MolecularWeight: 460.56798

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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=CC=CC=N5

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C27H32N4O3/c32-25(30-15-6-2-1-3-7-16-30)20-12-17-29(18-13-20)23-11-8-10-22-24(23)27(34)31(26(22)33)19-21-9-4-5-14-28-21/h4-5,8-11,14,20H,1-3,6-7,12-13,15-19H2