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1-Acetyl-6-(1,3-dimethyl-5-oxo-2-phenyl-4-pyrazolyl)-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one
SpectraBase Compound ID CJlKhkJJUfU
InChI InChI=1S/C22H21N5O3/c1-14-18(22(30)25(3)27(14)17-12-8-5-9-13-17)19-21(29)23-20(24-26(19)15(2)28)16-10-6-4-7-11-16/h4-13,19H,1-3H3,(H,23,24,29)
InChIKey ZEQHOXFUKJKLJC-UHFFFAOYSA-N
Mol Weight 403.44 g/mol
Molecular Formula C22H21N5O3
Exact Mass 403.16444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zvzHBKHJdo
Name 1-Acetyl-6-(1,3-dimethyl-5-oxo-2-phenyl-4-pyrazolyl)-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5O3
InChI InChI=1S/C22H21N5O3/c1-14-18(22(30)25(3)27(14)17-12-8-5-9-13-17)19-21(29)23-20(24-26(19)15(2)28)16-10-6-4-7-11-16/h4-13,19H,1-3H3,(H,23,24,29)
InChIKey ZEQHOXFUKJKLJC-UHFFFAOYSA-N
Molecular Weight 403.442 g/mol
SMILES N1C(=NC(C(N1C(=O)C)C=1C(N(C)N(C1C)c1ccccc1)=O)=O)c1ccccc1
SPLASH splash10-03xr-1094100000-451c67385350ed096d51
Source of Spectrum Y-34-1018-6
Synonyms 1-Acetyl-6-(1,3-dimethyl-5-oxo-2-phenyl-pyrazol-4-yl)-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one 1-Acetyl-6-(5-keto-1,3-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one 6-(1,3-dimethyl-5-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-ethanoyl-3-phenyl-2,6-dihydro-1,2,4-triazin-5-one
Wiley ID 1370874