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

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]-(4-methylphenyl)methyl]propanedinitrile Openeye Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(p-tolyl)methyl]propanedinitrile CAS Name: 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-(4-methylphenyl)methyl]propanedinitrile IUPAC Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-(4-methylphenyl)methyl]propanedinitrile Traditional Name: 2-[(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-yl)-(p-tolyl)methyl]malononitrile Formula: C22H20N4O MolecularWeight: 356.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O/c1-15-8-10-18(11-9-15)21(19(12-23)13-24)20-16(2)25-26(22(20)27)14-17-6-4-3-5-7-17/h3-11,19-21H,14H2,1-2H3