2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]malononitrile Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H16N4O2/c1-26-19-9-8-16(11-20(19)27-2)21-17(10-15(12-22)13-23)14-25(24-21)18-6-4-3-5-7-18/h3-11,14H,1-2H3