[(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C20H16FN3O3 MolecularWeight: 365.357743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O3/c1-13(11-22)27-20(25)18-12-24(16-8-6-15(21)7-9-16)23-19(18)14-4-3-5-17(10-14)26-2/h3-10,12-13H,1-2H3/t13-/m1/s1