3-[5-ethyl-4-(2-fluoranylethyl)-2-methyl-heptan-4-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-ethyl-4-(2-fluoranylethyl)-2-methyl-heptan-4-yl]-1H-pyridazin-6-one Openeye Name: 3-[2-ethyl-1-(2-fluoroethyl)-1-isobutyl-butyl]-1H-pyridazin-6-one CAS Name: 3-[5-ethyl-4-(2-fluoroethyl)-2-methylheptan-4-yl]-1H-pyridazin-6-one IUPAC Name: 3-[5-ethyl-4-(2-fluoroethyl)-2-methylheptan-4-yl]-1H-pyridazin-6-one Traditional Name: 3-[2-ethyl-1-(2-fluoroethyl)-1-isobutyl-butyl]-1H-pyridazin-6-one Formula: C16H27FN2O MolecularWeight: 282.396783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCF)(CC(C)C)C1=NNC(=O)C=C1

Isomeric SMILES

CCC(CC)C(CCF)(CC(C)C)C1=NNC(=O)C=C1

InChI

InChI=1S/C16H27FN2O/c1-5-13(6-2)16(9-10-17,11-12(3)4)14-7-8-15(20)19-18-14/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,19,20)