(2E)-4,4-dimethyl-3-oxidanylidene-2-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-3-oxidanylidene-2-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]pentanenitrile Openeye Name: (2E)-4,4-dimethyl-3-oxo-2-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]pentanenitrile CAS Name: (2E)-4,4-dimethyl-3-oxo-2-[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylidene]pentanenitrile IUPAC Name: (2E)-4,4-dimethyl-3-oxo-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]pentanenitrile Traditional Name: (E)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N4O/c1-22(2,3)21(27)17(14-23)13-18-15-26(19-7-5-4-6-8-19)25-20(18)16-9-11-24-12-10-16/h4-13,15H,1-3H3/b17-13+