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

Systemtic Name: 3-[(2-ethanoyl-4-fluoranyl-phenyl)-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[2-acetyl-4-fluoro-N-(3-pyridylmethyl)anilino]propanenitrile CAS Name: 3-[2-acetyl-4-fluoro-N-(3-pyridinylmethyl)anilino]propanenitrile IUPAC Name: 3-[2-acetyl-4-fluoro-N-(pyridin-3-ylmethyl)anilino]propanenitrile Traditional Name: 3-[2-acetyl-4-fluoro-N-(3-pyridylmethyl)anilino]propionitrile Formula: C17H16FN3O MolecularWeight: 297.326843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)F)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)F)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C17H16FN3O/c1-13(22)16-10-15(18)5-6-17(16)21(9-3-7-19)12-14-4-2-8-20-11-14/h2,4-6,8,10-11H,3,9,12H2,1H3