3-[[4-fluoranyl-2-(hydroxymethyl)phenyl]-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[4-fluoranyl-2-(hydroxymethyl)phenyl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[4-fluoro-2-(hydroxymethyl)-N-(3-pyridylmethyl)anilino]propanenitrile CAS Name: 3-[4-fluoro-2-(hydroxymethyl)-N-(3-pyridinylmethyl)anilino]propanenitrile IUPAC Name: 3-[4-fluoro-2-(hydroxymethyl)-N-(pyridin-3-ylmethyl)anilino]propanenitrile Traditional Name: 3-[4-fluoro-2-methylol-N-(3-pyridylmethyl)anilino]propionitrile Formula: C16H16FN3O MolecularWeight: 285.316143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=C(C=C2)F)CO

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C2=C(C=C(C=C2)F)CO

InChI

InChI=1S/C16H16FN3O/c17-15-4-5-16(14(9-15)12-21)20(8-2-6-18)11-13-3-1-7-19-10-13/h1,3-5,7,9-10,21H,2,8,11-12H2