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

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methylene]malononitrile Formula: C22H18N4 MolecularWeight: 338.40512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H18N4/c1-16-8-9-20(10-17(16)2)22-21(11-19(12-23)13-24)15-26(25-22)14-18-6-4-3-5-7-18/h3-11,15H,14H2,1-2H3