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

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C26H30N4O3/c31-24(29-13-3-1-2-4-14-29)20-10-15-28(16-11-20)22-9-5-8-21-23(22)26(33)30(25(21)32)18-19-7-6-12-27-17-19/h5-9,12,17,20H,1-4,10-11,13-16,18H2