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5-(4-Chlorobenzyl)-4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-one
SpectraBase Compound ID LcdEXgfUkE3
InChI InChI=1S/C20H18ClN5O2/c1-13-18(19(27)26(24(13)2)16-6-4-3-5-7-16)25-17(22-23-20(25)28)12-14-8-10-15(21)11-9-14/h3-11H,12H2,1-2H3,(H,23,28)
InChIKey GMKYVTPHHGJUHE-UHFFFAOYSA-N
Mol Weight 395.85 g/mol
Molecular Formula C20H18ClN5O2
Exact Mass 395.114903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WTQIgjAhng
Name 5-(4-Chlorobenzyl)-4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-one
Alternate Name(s) 3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1H-1,2,4-triazol-5-one 3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-1,2,4-triazol-5-one 3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1H-1,2,4-triazol-5-one 3-[(4-chlorophenyl)methyl]-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1H-1,2,4-triazol-5-one
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Formula C20H18ClN5O2
InChI InChI=1S/C20H18ClN5O2/c1-13-18(19(27)26(24(13)2)16-6-4-3-5-7-16)25-17(22-23-20(25)28)12-14-8-10-15(21)11-9-14/h3-11H,12H2,1-2H3,(H,23,28)
InChIKey GMKYVTPHHGJUHE-UHFFFAOYSA-N
Molecular Weight 395.850 g/mol
SMILES N1N=C(N(C1=O)C=1C(N(c2ccccc2)N(C1C)C)=O)Cc1ccc(cc1)Cl
SPLASH splash10-014j-0199000000-88ff13ba5774b1e7234d
Source of Spectrum F2-45-4729-3
Wiley ID 1703827