2-fluoranyl-4-[[4-(5-octylpyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[[4-(5-octylpyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 2-fluoro-4-[[4-(5-octylpyrimidin-2-yl)phenyl]methoxy]benzonitrile CAS Name: 2-fluoro-4-[[4-(5-octyl-2-pyrimidinyl)phenyl]methoxy]benzonitrile IUPAC Name: 2-fluoro-4-[[4-(5-octylpyrimidin-2-yl)phenyl]methoxy]benzonitrile Traditional Name: 2-fluoro-4-[4-(5-octylpyrimidin-2-yl)benzyl]oxy-benzonitrile Formula: C26H28FN3O MolecularWeight: 417.518423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C26H28FN3O/c1-2-3-4-5-6-7-8-21-17-29-26(30-18-21)22-11-9-20(10-12-22)19-31-24-14-13-23(16-28)25(27)15-24/h9-15,17-18H,2-8,19H2,1H3