2-[[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]-pyridin-4-yl-methyl]propanedinitrile

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]-pyridin-4-yl-methyl]propanedinitrile Openeye Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-pyridyl)methyl]propanedinitrile CAS Name: 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-pyridin-4-ylmethyl]propanedinitrile IUPAC Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-pyridin-4-ylmethyl]propanedinitrile Traditional Name: 2-[(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-yl)-(4-pyridyl)methyl]malononitrile Formula: C20H17N5O MolecularWeight: 343.38188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=NC=C2)C(C#N)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=NC=C2)C(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H17N5O/c1-14-18(19(17(11-21)12-22)16-7-9-23-10-8-16)20(26)25(24-14)13-15-5-3-2-4-6-15/h2-10,17-19H,13H2,1H3