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3,4-Bis-(1-p-tolyl)-3-phenylaminocarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
SpectraBase Compound ID 8OTnKJ2Sjcr
InChI InChI=1S/C46H36N8O4/c1-29-19-23-34(24-20-29)52-27-37(40(49-52)45(57)47-32-13-7-4-8-14-32)43(55)39-31(3)54(36-17-11-6-12-18-36)51-42(39)44(56)38-28-53(35-25-21-30(2)22-26-35)50-41(38)46(58)48-33-15-9-5-10-16-33/h4-28H,1-3H3,(H,47,57)(H,48,58)
InChIKey ZIZXTEOWEGLYGZ-UHFFFAOYSA-N
Mol Weight 764.8 g/mol
Molecular Formula C46H36N8O4
Exact Mass 764.285952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NXW1ojL8hO
Name 3,4-Bis-(1-p-tolyl)-3-phenylaminocarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
Alternate Name(s) 4,4'-(5-methyl-1-phenyl-1H-pyrazole-3,4-dicarbonyl)bis(N-phenyl-1-(p-tolyl)-1H-pyrazole-3-carboxamide) 4-[[3-[[3-[anilino(oxo)methyl]-1-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-(4-methylphenyl)-N-phenyl-3-pyrazolecarboxamide 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazol-4-yl]carbonyl-1-phenyl-pyrazol-4-yl]carbonyl-1-(4-methylphenyl)-N-phenyl-pyrazole-3-carboxamide
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Formula C46H36N8O4
InChI InChI=1S/C46H36N8O4/c1-29-19-23-34(24-20-29)52-27-37(40(49-52)45(57)47-32-13-7-4-8-14-32)43(55)39-31(3)54(36-17-11-6-12-18-36)51-42(39)44(56)38-28-53(35-25-21-30(2)22-26-35)50-41(38)46(58)48-33-15-9-5-10-16-33/h4-28H,1-3H3,(H,47,57)(H,48,58)
InChIKey ZIZXTEOWEGLYGZ-UHFFFAOYSA-N
Molecular Weight 764.846 g/mol
SMILES N(C(c1c(C(c2c(C(c3c(C(Nc4ccccc4)=O)n[n](c3)-c3ccc(cc3)C)=O)c([n](n2)-c2ccccc2)C)=O)c[n](n1)-c1ccc(C)cc1)=O)c1ccccc1
SPLASH splash10-0ar4-7922000000-cbf34ae8c50d3ad0530d
Source of Spectrum Y-50-21-7e
Wiley ID 1736357