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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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