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3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(4-chlorophenyl)carbamoyl]benzamide
SpectraBase Compound ID IoASG2lWSgE
InChI InChI=1S/C20H18BrClN4O2/c1-12-18(21)13(2)26(25-12)11-14-4-3-5-15(10-14)19(27)24-20(28)23-17-8-6-16(22)7-9-17/h3-10H,11H2,1-2H3,(H2,23,24,27,28)
InChIKey PEAPPRAKZKVZFE-UHFFFAOYSA-N
Mol Weight 461.75 g/mol
Molecular Formula C20H18BrClN4O2
Exact Mass 460.030167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyMdwZ39849
Name 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(4-chlorophenyl)carbamoyl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18BrClN4O2
InChI InChI=1S/C20H18BrClN4O2/c1-12-18(21)13(2)26(25-12)11-14-4-3-5-15(10-14)19(27)24-20(28)23-17-8-6-16(22)7-9-17/h3-10H,11H2,1-2H3,(H2,23,24,27,28)
InChIKey PEAPPRAKZKVZFE-UHFFFAOYSA-N
Molecular Weight 461.747 g/mol
SMILES N(C(c1cc(C[n]2nc(C)c(c2C)Br)ccc1)=O)C(Nc1ccc(cc1)Cl)=O
SPLASH splash10-003i-6934000000-dc287c19b607f6cbe268
Synonyms 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[(4-chloroanilino)-oxomethyl]benzamide 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[(4-chlorophenyl)carbamoyl]benzamide N-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(4-chlorophenyl)urea
Wiley ID 1446661