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benzoic acid, 2-[[[5-[(2-fluorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID gNj9I9CVnt
InChI InChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31)
InChIKey CVCLUROFBXARNB-UHFFFAOYSA-N
Mol Weight 458.45 g/mol
Molecular Formula C25H19FN4O4
Exact Mass 458.139033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69iQxtA181t
Name 2-[[5-[(2-fluorobenzoyl)amino]-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid methyl ester
Alternate Name(s) 2-[[[5-[[(2-fluorophenyl)-oxomethyl]amino]-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester Methyl 2-[({5-[(2-fluorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl}carbonyl)amino]benzoate Methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenyl-pyrazole-4-carbonyl]amino]benzoate Methyl 2-[[5-[(2-fluorophenyl)carbonylamino]-1-phenyl-pyrazol-4-yl]carbonylamino]benzoate
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Formula C25H19FN4O4
InChI InChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31)
InChIKey CVCLUROFBXARNB-UHFFFAOYSA-N
Molecular Weight 458.449 g/mol
SMILES N(C(c1c([n](nc1)-c1ccccc1)NC(c1c(F)cccc1)=O)=O)c1c(C(=O)OC)cccc1
SPLASH splash10-0uk9-2902000000-031fca34d6341d5c5372
Wiley ID 1460443