3-[[4-(chloromethyl)phenyl]-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[4-(chloromethyl)phenyl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[4-(chloromethyl)-N-(3-pyridylmethyl)anilino]propanenitrile CAS Name: 3-[4-(chloromethyl)-N-(3-pyridinylmethyl)anilino]propanenitrile IUPAC Name: 3-[4-(chloromethyl)-N-(pyridin-3-ylmethyl)anilino]propanenitrile Traditional Name: 3-[4-(chloromethyl)-N-(3-pyridylmethyl)anilino]propionitrile Formula: C16H16ClN3 MolecularWeight: 285.77134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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