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

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenyl-methyl]propanedinitrile Openeye Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-phenyl-methyl]propanedinitrile CAS Name: 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile IUPAC Name: 2-[(1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile Traditional Name: 2-[(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-yl)-phenyl-methyl]malononitrile Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O/c1-15-19(20(18(12-22)13-23)17-10-6-3-7-11-17)21(26)25(24-15)14-16-8-4-2-5-9-16/h2-11,18-20H,14H2,1H3