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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H23N3O/c1-24(2,3)23(28)20(15-25)14-21-17-27(16-18-10-6-4-7-11-18)26-22(21)19-12-8-5-9-13-19/h4-14,17H,16H2,1-3H3/b20-14+