ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-oxidanyl-2-phenyl-ethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-oxidanyl-2-phenyl-ethyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylate CAS Name: 5-[[(3-fluoroanilino)-oxomethyl]amino]-1-(2-hydroxy-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate Traditional Name: 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN4O4/c1-2-30-20(28)17-12-23-26(13-18(27)14-7-4-3-5-8-14)19(17)25-21(29)24-16-10-6-9-15(22)11-16/h3-12,18,27H,2,13H2,1H3,(H2,24,25,29)