3-[2-(5-azanyl-2-oxidanylidene-pyridin-1-yl)ethyl-phenyl-amino]propanenitrile

Systemtic Name: 3-[2-(5-azanyl-2-oxidanylidene-pyridin-1-yl)ethyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-[2-(5-amino-2-oxo-1-pyridyl)ethyl]anilino]propanenitrile CAS Name: 3-[N-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]anilino]propanenitrile IUPAC Name: 3-[N-[2-(5-amino-2-oxopyridin-1-yl)ethyl]anilino]propanenitrile Traditional Name: 3-[N-[2-(5-amino-2-keto-1-pyridyl)ethyl]anilino]propionitrile Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CCN2C=C(C=CC2=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CCN2C=C(C=CC2=O)N

InChI

InChI=1S/C16H18N4O/c17-9-4-10-19(15-5-2-1-3-6-15)11-12-20-13-14(18)7-8-16(20)21/h1-3,5-8,13H,4,10-12,18H2