ethyl 1-(4-fluorophenyl)-5-[3-(1,2-oxazol-5-ylcarbonylamino)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-5-[3-(1,2-oxazol-5-ylcarbonylamino)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-5-[3-(isoxazole-5-carbonylamino)phenyl]pyrazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-[3-[[5-isoxazolyl(oxo)methyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-5-[3-(1,2-oxazole-5-carbonylamino)phenyl]pyrazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-[3-(isoxazole-5-carbonylamino)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C22H17FN4O4 MolecularWeight: 420.393183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=CC=NO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=CC=NO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O4/c1-2-30-22(29)18-13-19(27(26-18)17-8-6-15(23)7-9-17)14-4-3-5-16(12-14)25-21(28)20-10-11-24-31-20/h3-13H,2H2,1H3,(H,25,28)