butyl 4-[[3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]benzoate CAS Name: 4-[[[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]benzoate Traditional Name: 4-[[5-carbamoyl-1-(4-fluorophenyl)-2-pyrazoline-3-carbonyl]amino]benzoic acid butyl ester Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN4O4/c1-2-3-12-31-22(30)14-4-8-16(9-5-14)25-21(29)18-13-19(20(24)28)27(26-18)17-10-6-15(23)7-11-17/h4-11,19H,2-3,12-13H2,1H3,(H2,24,28)(H,25,29)