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

Systemtic Name: 4-[[4-(5-decylpyrimidin-2-yl)phenyl]methoxy]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-(5-decylpyrimidin-2-yl)phenyl]methoxy]-2-fluoro-benzonitrile CAS Name: 4-[[4-(5-decyl-2-pyrimidinyl)phenyl]methoxy]-2-fluorobenzonitrile IUPAC Name: 4-[[4-(5-decylpyrimidin-2-yl)phenyl]methoxy]-2-fluorobenzonitrile Traditional Name: 4-[4-(5-decylpyrimidin-2-yl)benzyl]oxy-2-fluoro-benzonitrile Formula: C28H32FN3O MolecularWeight: 445.571583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C28H32FN3O/c1-2-3-4-5-6-7-8-9-10-23-19-31-28(32-20-23)24-13-11-22(12-14-24)21-33-26-16-15-25(18-30)27(29)17-26/h11-17,19-20H,2-10,21H2,1H3