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

Systemtic Name: 3-[[3-chloranyl-2-(hydroxymethyl)phenyl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[3-chloro-2-(hydroxymethyl)-N-(3-pyridylmethyl)anilino]propanenitrile CAS Name: 3-[3-chloro-2-(hydroxymethyl)-N-(3-pyridinylmethyl)anilino]propanenitrile IUPAC Name: 3-[3-chloro-2-(hydroxymethyl)-N-(pyridin-3-ylmethyl)anilino]propanenitrile Traditional Name: 3-[3-chloro-2-methylol-N-(3-pyridylmethyl)anilino]propionitrile Formula: C16H16ClN3O MolecularWeight: 301.77074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O/c17-15-5-1-6-16(14(15)12-21)20(9-3-7-18)11-13-4-2-8-19-10-13/h1-2,4-6,8,10,21H,3,9,11-12H2