2-[(4-methoxyphenyl)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile

Systemtic Name: 2-[(4-methoxyphenyl)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile Openeye Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-methoxyphenyl)methyl]propanedinitrile CAS Name: 2-[(4-methoxyphenyl)-[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile IUPAC Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-methoxyphenyl)methyl]propanedinitrile Traditional Name: 2-[(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-yl)-(4-methoxyphenyl)methyl]malononitrile Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)OC)C(C#N)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)OC)C(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O2/c1-15-20(22(27)26(25-15)14-16-6-4-3-5-7-16)21(18(12-23)13-24)17-8-10-19(28-2)11-9-17/h3-11,18,20-21H,14H2,1-2H3