1-[4-[4-(5-butylpyridin-2-yl)phenyl]-1-oxidanyl-cyclohexyl]-2-fluoranyl-hexan-1-one

Systemtic Name: 1-[4-[4-(5-butylpyridin-2-yl)phenyl]-1-oxidanyl-cyclohexyl]-2-fluoranyl-hexan-1-one Openeye Name: 1-[4-[4-(5-butyl-2-pyridyl)phenyl]-1-hydroxy-cyclohexyl]-2-fluoro-hexan-1-one CAS Name: 1-[4-[4-(5-butyl-2-pyridinyl)phenyl]-1-hydroxycyclohexyl]-2-fluoro-1-hexanone IUPAC Name: 1-[4-[4-(5-butylpyridin-2-yl)phenyl]-1-hydroxycyclohexyl]-2-fluorohexan-1-one Traditional Name: 1-[4-[4-(5-butyl-2-pyridyl)phenyl]-1-hydroxy-cyclohexyl]-2-fluoro-hexan-1-one Formula: C27H36FNO2 MolecularWeight: 425.578643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)O

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)O

InChI

InChI=1S/C27H36FNO2/c1-3-5-7-20-9-14-25(29-19-20)23-12-10-21(11-13-23)22-15-17-27(31,18-16-22)26(30)24(28)8-6-4-2/h9-14,19,22,24,31H,3-8,15-18H2,1-2H3