1-cyclohexyl-4,4-dimethyl-1-pyridin-2-yl-pentan-3-one

Systemtic Name: 1-cyclohexyl-4,4-dimethyl-1-pyridin-2-yl-pentan-3-one Openeye Name: 1-cyclohexyl-4,4-dimethyl-1-(2-pyridyl)pentan-3-one CAS Name: 1-cyclohexyl-4,4-dimethyl-1-(2-pyridinyl)-3-pentanone IUPAC Name: 1-cyclohexyl-4,4-dimethyl-1-pyridin-2-ylpentan-3-one Traditional Name: 1-cyclohexyl-4,4-dimethyl-1-(2-pyridyl)pentan-3-one Formula: C18H27NO MolecularWeight: 273.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(C1CCCCC1)C2=CC=CC=N2

Isomeric SMILES

CC(C)(C)C(=O)CC(C1CCCCC1)C2=CC=CC=N2

InChI

InChI=1S/C18H27NO/c1-18(2,3)17(20)13-15(14-9-5-4-6-10-14)16-11-7-8-12-19-16/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3