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

Systemtic Name: (2E)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c1-25(2,3)24(29)18(15-26)13-19-16-28(20-9-7-6-8-10-20)27-23(19)17-11-12-21(30-4)22(14-17)31-5/h6-14,16H,1-5H3/b18-13+