3-[[2-(chloromethyl)phenyl]-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[2-(chloromethyl)phenyl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[2-(chloromethyl)-N-(3-pyridylmethyl)anilino]propanenitrile CAS Name: 3-[2-(chloromethyl)-N-(3-pyridinylmethyl)anilino]propanenitrile IUPAC Name: 3-[2-(chloromethyl)-N-(pyridin-3-ylmethyl)anilino]propanenitrile Traditional Name: 3-[2-(chloromethyl)-N-(3-pyridylmethyl)anilino]propionitrile Formula: C16H16ClN3 MolecularWeight: 285.77134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3/c17-11-15-6-1-2-7-16(15)20(10-4-8-18)13-14-5-3-9-19-12-14/h1-3,5-7,9,12H,4,10-11,13H2