ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-oxidanylbutyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-oxidanylbutyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate CAS Name: 5-[[(2-fluoroanilino)-oxomethyl]amino]-1-(2-hydroxybutyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate Traditional Name: 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H21FN4O4 MolecularWeight: 364.371443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NC2=CC=CC=C2F)O

Isomeric SMILES

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NC2=CC=CC=C2F)O

InChI

InChI=1S/C17H21FN4O4/c1-3-11(23)10-22-15(12(9-19-22)16(24)26-4-2)21-17(25)20-14-8-6-5-7-13(14)18/h5-9,11,23H,3-4,10H2,1-2H3,(H2,20,21,25)