3,5,5-trimethyl-1-pyridin-2-yl-hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-pyridin-2-yl-hexan-1-one Openeye Name: 3,5,5-trimethyl-1-(2-pyridyl)hexan-1-one CAS Name: 3,5,5-trimethyl-1-(2-pyridinyl)-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-pyridin-2-ylhexan-1-one Traditional Name: 3,5,5-trimethyl-1-(2-pyridyl)hexan-1-one Formula: C14H21NO MolecularWeight: 219.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=N1)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)C1=CC=CC=N1)CC(C)(C)C

InChI

InChI=1S/C14H21NO/c1-11(10-14(2,3)4)9-13(16)12-7-5-6-8-15-12/h5-8,11H,9-10H2,1-4H3