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

Systemtic Name: 4-[4-[(2S)-2-ethylpiperidin-1-yl]carbonylpiperidin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]-1-piperidyl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[[(2S)-2-ethyl-1-piperidinyl]-oxomethyl]-1-piperidinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(2S)-2-ethylpiperidine-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:

CCC1CCCCN1C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C27H32N4O3/c1-2-21-9-4-6-15-30(21)25(32)19-12-16-29(17-13-19)23-11-7-10-22-24(23)27(34)31(26(22)33)18-20-8-3-5-14-28-20/h3,5,7-8,10-11,14,19,21H,2,4,6,9,12-13,15-18H2,1H3/t21-/m0/s1