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3,4-Bis-(1-(p-chlorophenyl)-3-phenylaminocarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
SpectraBase Compound ID DMM4GpE08WY
InChI InChI=1S/C44H30Cl2N8O4/c1-27-37(41(55)35-25-52(32-21-17-28(45)18-22-32)49-38(35)43(57)47-30-11-5-2-6-12-30)40(51-54(27)34-15-9-4-10-16-34)42(56)36-26-53(33-23-19-29(46)20-24-33)50-39(36)44(58)48-31-13-7-3-8-14-31/h2-26H,1H3,(H,47,57)(H,48,58)
InChIKey FHQIJZCQTZNSBM-UHFFFAOYSA-N
Mol Weight 805.7 g/mol
Molecular Formula C44H30Cl2N8O4
Exact Mass 804.176707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkuayfJyS6d
Name 3,4-Bis-(1-(p-chlorophenyl)-3-phenylaminocarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H30Cl2N8O4
InChI InChI=1S/C44H30Cl2N8O4/c1-27-37(41(55)35-25-52(32-21-17-28(45)18-22-32)49-38(35)43(57)47-30-11-5-2-6-12-30)40(51-54(27)34-15-9-4-10-16-34)42(56)36-26-53(33-23-19-29(46)20-24-33)50-39(36)44(58)48-31-13-7-3-8-14-31/h2-26H,1H3,(H,47,57)(H,48,58)
InChIKey FHQIJZCQTZNSBM-UHFFFAOYSA-N
Molecular Weight 805.682 g/mol
SMILES N(C(c1c(C(c2c(C(c3c(C(Nc4ccccc4)=O)n[n](c3)-c3ccc(cc3)Cl)=O)c([n](n2)-c2ccccc2)C)=O)c[n](n1)-c1ccc(cc1)Cl)=O)c1ccccc1
SPLASH splash10-0002-9210000000-658fe5763c046ab91f18
Source of Spectrum Y-50-21-7f
Synonyms 4,4'-(5-methyl-1-phenyl-1H-pyrazole-3,4-dicarbonyl)bis(1-(4-chlorophenyl)-N-phenyl-1H-pyrazole-3-carboxamide) 4-[[3-[[3-[anilino(oxo)methyl]-1-(4-chlorophenyl)-4-pyrazolyl]-oxomethyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-(4-chlorophenyl)-N-phenyl-3-pyrazolecarboxamide 1-(4-Chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide 1-(4-Chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-5-methyl-1-phenyl-pyrazol-4-yl]carbonyl-N-phenyl-pyrazole-3-carboxamide
Wiley ID 1736356