3,3-dimethyl-1-[(2S)-2-(6-pyridin-3-ylhex-5-ynoyl)piperidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[(2S)-2-(6-pyridin-3-ylhex-5-ynoyl)piperidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[(2S)-2-[6-(3-pyridyl)hex-5-ynoyl]-1-piperidyl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[(2S)-2-[1-oxo-6-(3-pyridinyl)hex-5-ynyl]-1-piperidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[(2S)-2-(6-pyridin-3-ylhex-5-ynoyl)piperidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[(2S)-2-[6-(3-pyridyl)hex-5-ynoyl]piperidino]pentane-1,2-dione Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)CCCC#CC2=CN=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCC#CC2=CN=CC=C2

InChI

InChI=1S/C23H30N2O3/c1-4-23(2,3)21(27)22(28)25-16-9-8-13-19(25)20(26)14-7-5-6-11-18-12-10-15-24-17-18/h10,12,15,17,19H,4-5,7-9,13-14,16H2,1-3H3/t19-/m0/s1