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

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-phenyl-methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenyl-methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethyl]propanedinitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-phenyl-methyl]malononitrile Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O/c1-14-18(20(25)24(23-14)17-10-6-3-7-11-17)19(16(12-21)13-22)15-8-4-2-5-9-15/h2-11,16,18-19H,1H3