4-[4-[(3S)-3-methylpiperidin-1-yl]carbonylpiperidin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(3S)-3-methylpiperidin-1-yl]carbonylpiperidin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(3S)-3-methylpiperidine-1-carbonyl]-1-piperidyl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[[(3S)-3-methyl-1-piperidinyl]-oxomethyl]-1-piperidinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidino]-2-(2-pyridylmethyl)isoindoline-1,3-quinone Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C26H30N4O3/c1-18-6-5-13-29(16-18)24(31)19-10-14-28(15-11-19)22-9-4-8-21-23(22)26(33)30(25(21)32)17-20-7-2-3-12-27-20/h2-4,7-9,12,18-19H,5-6,10-11,13-17H2,1H3/t18-/m0/s1