2-fluoranyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]benzonitrile CAS Name: 2-fluoro-4-[5-(4-octylphenyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]benzonitrile Traditional Name: 2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]benzonitrile Formula: C25H26FN3 MolecularWeight: 387.492443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)23-17-28-25(29-18-23)21-13-14-22(16-27)24(26)15-21/h9-15,17-18H,2-8H2,1H3