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

Systemtic Name: 2-fluoranyl-4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzonitrile CAS Name: 2-fluoro-4-[5-(4-pentylphenyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-fluoro-4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-amylphenyl)pyrimidin-2-yl]-2-fluoro-benzonitrile Formula: C22H20FN3 MolecularWeight: 345.412703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C22H20FN3/c1-2-3-4-5-16-6-8-17(9-7-16)20-14-25-22(26-15-20)18-10-11-19(13-24)21(23)12-18/h6-12,14-15H,2-5H2,1H3