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

Systemtic Name: 4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[(3S)-3-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[(3S)-3-(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)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C26H30N4O3/c31-24(28-13-3-1-2-4-14-28)20-9-7-15-29(18-20)22-11-5-10-21-23(22)26(33)30(25(21)32)17-19-8-6-12-27-16-19/h5-6,8,10-12,16,20H,1-4,7,9,13-15,17-18H2/t20-/m0/s1