5-pentan-3-yl-2-pyridin-2-yl-cyclohexane-1,3-dione

Systemtic Name: 5-pentan-3-yl-2-pyridin-2-yl-cyclohexane-1,3-dione Openeye Name: 5-(1-ethylpropyl)-2-(2-pyridyl)cyclohexane-1,3-dione CAS Name: 5-pentan-3-yl-2-(2-pyridinyl)cyclohexane-1,3-dione IUPAC Name: 5-pentan-3-yl-2-pyridin-2-ylcyclohexane-1,3-dione Traditional Name: 5-(1-ethylpropyl)-2-(2-pyridyl)cyclohexane-1,3-quinone Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1CC(=O)C(C(=O)C1)C2=CC=CC=N2

Isomeric SMILES

CCC(CC)C1CC(=O)C(C(=O)C1)C2=CC=CC=N2

InChI

InChI=1S/C16H21NO2/c1-3-11(4-2)12-9-14(18)16(15(19)10-12)13-7-5-6-8-17-13/h5-8,11-12,16H,3-4,9-10H2,1-2H3