3-[(4-ethanoylphenyl)-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[(4-ethanoylphenyl)-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[4-acetyl-N-(3-pyridylmethyl)anilino]propanenitrile CAS Name: 3-[4-acetyl-N-(3-pyridinylmethyl)anilino]propanenitrile IUPAC Name: 3-[4-acetyl-N-(pyridin-3-ylmethyl)anilino]propanenitrile Traditional Name: 3-[4-acetyl-N-(3-pyridylmethyl)anilino]propionitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O/c1-14(21)16-5-7-17(8-6-16)20(11-3-9-18)13-15-4-2-10-19-12-15/h2,4-8,10,12H,3,11,13H2,1H3