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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methyl]-4-triazolecarboxylic acid ethyl ester
SpectraBase Compound ID 4qmGZDuMUZh
InChI InChI=1S/C19H21N9O4/c1-4-31-19(30)15-13(27(25-22-15)17-16(20)23-32-24-17)10-21-14-11(2)26(3)28(18(14)29)12-8-6-5-7-9-12/h5-9,21H,4,10H2,1-3H3,(H2,20,23)
InChIKey WVIYXFZTKUJEFY-UHFFFAOYSA-N
Mol Weight 439.44 g/mol
Molecular Formula C19H21N9O4
Exact Mass 439.17165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kEQSvBd4Ed
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methyl]-4-triazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N9O4
InChI InChI=1S/C19H21N9O4/c1-4-31-19(30)15-13(27(25-22-15)17-16(20)23-32-24-17)10-21-14-11(2)26(3)28(18(14)29)12-8-6-5-7-9-12/h5-9,21H,4,10H2,1-3H3,(H2,20,23)
InChIKey WVIYXFZTKUJEFY-UHFFFAOYSA-N
Molecular Weight 439.436 g/mol
SMILES N(C=1C(N(c2ccccc2)N(C1C)C)=O)Cc1[n](-c2c(non2)N)nnc1C(=O)OCC
SPLASH splash10-0a4i-9761000000-d903672b97a6be7a5116
Synonyms 1-(4-aminofurazan-3-yl)-5-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methyl]triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1443347