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

Systemtic Name: 2-[(R)-(2-methoxyphenyl)-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile Openeye Name: 2-[(R)-(2-methoxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile CAS Name: 2-[(R)-(2-methoxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile IUPAC Name: 2-[(R)-(2-methoxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]propanedinitrile Traditional Name: 2-[(R)-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-(2-methoxyphenyl)methyl]malononitrile Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=CC=C2OC)C(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1[C@H](C2=CC=CC=C2OC)C(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O2/c1-14-19(21(26)25(24-14)16-8-4-3-5-9-16)20(15(12-22)13-23)17-10-6-7-11-18(17)27-2/h3-11,15,19-20H,1-2H3/t19-,20-/m0/s1