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

Systemtic Name: (2E)-4,4-dimethyl-2-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-3-oxo-2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C24H23N3O MolecularWeight: 369.45892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O/c1-17-10-12-18(13-11-17)22-20(14-19(15-25)23(28)24(2,3)4)16-27(26-22)21-8-6-5-7-9-21/h5-14,16H,1-4H3/b19-14+