[(1R)-1-cyanoethyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CN(N=C1C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CN(N=C1C2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4/c1-14(12-22)28-21(25)18-13-24(15-7-5-4-6-8-15)23-20(18)17-11-16(26-2)9-10-19(17)27-3/h4-11,13-14H,1-3H3/t14-/m1/s1