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

Systemtic Name: 2-[(R)-(2-chlorophenyl)-[(4R)-3-methyl-5-oxidanylidene-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile Openeye Name: 2-[(R)-[(4R)-1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl]-(2-chlorophenyl)methyl]propanedinitrile CAS Name: 2-[(R)-(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]methyl]propanedinitrile IUPAC Name: 2-[(R)-[(4R)-1-benzyl-3-methyl-5-oxo-4H-pyrazol-4-yl]-(2-chlorophenyl)methyl]propanedinitrile Traditional Name: 2-[(R)-[(4R)-1-benzyl-5-keto-3-methyl-2-pyrazolin-4-yl]-(2-chlorophenyl)methyl]malononitrile Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=CC=C2Cl)C(C#N)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1[C@H](C2=CC=CC=C2Cl)C(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN4O/c1-14-19(21(27)26(25-14)13-15-7-3-2-4-8-15)20(16(11-23)12-24)17-9-5-6-10-18(17)22/h2-10,16,19-20H,13H2,1H3/t19-,20-/m0/s1