2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-pyridin-4-yl-methyl]propanedinitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-pyridin-4-yl-methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-pyridyl)methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-pyridin-4-ylmethyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-pyridin-4-ylmethyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(4-pyridyl)methyl]malononitrile Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=NC=C2)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=NC=C2)C(C#N)C#N

InChI

InChI=1S/C13H11N5O/c1-8-11(13(19)18-17-8)12(10(6-14)7-15)9-2-4-16-5-3-9/h2-5,10,12H,1H3,(H2,17,18,19)