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

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]methylene]malononitrile Formula: C22H18N4O2 MolecularWeight: 370.40392

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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)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H18N4O2/c1-27-20-9-8-18(11-21(20)28-2)22-19(10-17(12-23)13-24)15-26(25-22)14-16-6-4-3-5-7-16/h3-11,15H,14H2,1-2H3