[(1R)-1-cyanoethyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)OC(C)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)O[C@H](C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O2/c1-14-8-6-7-11-17(14)19-18(20(24)25-15(2)12-21)13-23(22-19)16-9-4-3-5-10-16/h3-11,13,15H,1-2H3/t15-/m1/s1