tert-butyl 1-(3-cyano-4-fluoranyl-phenyl)-5-(furan-2-yl)pyrazole-3-carboxylate

Systemtic Name: tert-butyl 1-(3-cyano-4-fluoranyl-phenyl)-5-(furan-2-yl)pyrazole-3-carboxylate Openeye Name: tert-butyl 1-(3-cyano-4-fluoro-phenyl)-5-(2-furyl)pyrazole-3-carboxylate CAS Name: 1-(3-cyano-4-fluorophenyl)-5-(2-furanyl)-3-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(3-cyano-4-fluorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylate Traditional Name: 1-(3-cyano-4-fluoro-phenyl)-5-(2-furyl)pyrazole-3-carboxylic acid tert-butyl ester Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=C(C=C3)F)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=C(C=C3)F)C#N

InChI

InChI=1S/C19H16FN3O3/c1-19(2,3)26-18(24)15-10-16(17-5-4-8-25-17)23(22-15)13-6-7-14(20)12(9-13)11-21/h4-10H,1-3H3