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N(1)-{4-[5'-(p-Fluorophenyl)-1'-acetyl-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID 8xpWwE2ZhTZ
InChI InChI=1S/C25H21ClFN3O3/c1-15(31)30-23(17-3-8-19(27)9-4-17)14-22(29-30)16-5-10-20(11-6-16)28-25(32)21-13-18(26)7-12-24(21)33-2/h3-13,23H,14H2,1-2H3,(H,28,32)
InChIKey PKQXEPVKEPLXKL-UHFFFAOYSA-N
Mol Weight 465.91 g/mol
Molecular Formula C25H21ClFN3O3
Exact Mass 465.125547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgJSq7kzow2
Name N(1)-{4-[5'-(p-Fluorophenyl)-1'-acetyl-4',5'-dihydro-1H-pyrazol-3'-yl]phenyl}-5-chloro-2-methoxybenzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21ClFN3O3
InChI InChI=1S/C25H21ClFN3O3/c1-15(31)30-23(17-3-8-19(27)9-4-17)14-22(29-30)16-5-10-20(11-6-16)28-25(32)21-13-18(26)7-12-24(21)33-2/h3-13,23H,14H2,1-2H3,(H,28,32)
InChIKey PKQXEPVKEPLXKL-UHFFFAOYSA-N
Molecular Weight 465.912 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=NN(C(C2)c2ccc(cc2)F)C(=O)C)cc1
SPLASH splash10-001i-0090000000-ce47467fb701b9ee127a
Source of Spectrum AH-138-1024-6
Synonyms N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-5-chloro-2-methoxybenzamide N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-5-chloro-2-methoxy-benzamide 5-chloranyl-N-[4-[2-ethanoyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methoxy-benzamide
Wiley ID 1612448