4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]benzenecarbonitrile Openeye Name: 4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]benzonitrile CAS Name: 4-[2-[3-fluoro-5-(3-pyridinyloxy)phenyl]ethynyl]benzonitrile IUPAC Name: 4-[2-(3-fluoro-5-pyridin-3-yloxyphenyl)ethynyl]benzonitrile Traditional Name: 4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]benzonitrile Formula: C20H11FN2O MolecularWeight: 314.312543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)C#N)F

Isomeric SMILES

C1=CC(=CN=C1)OC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C20H11FN2O/c21-18-10-17(8-5-15-3-6-16(13-22)7-4-15)11-20(12-18)24-19-2-1-9-23-14-19/h1-4,6-7,9-12,14H