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Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(propan-2-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 4w7f9D8ZEsk
InChI InChI=1S/C18H23N7O3/c1-4-27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)11-24(12(2)3)10-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,19,21)
InChIKey HZNGLBKFJSSMEB-UHFFFAOYSA-N
Mol Weight 385.43 g/mol
Molecular Formula C18H23N7O3
Exact Mass 385.186238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cpeze7ZNG3b
Name Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(propan-2-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
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Formula C18H23N7O3
InChI InChI=1S/C18H23N7O3/c1-4-27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)11-24(12(2)3)10-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,19,21)
InChIKey HZNGLBKFJSSMEB-UHFFFAOYSA-N
Molecular Weight 385.428 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CN(Cc2ccccc2)C(C)C)non1
SPLASH splash10-0006-9310000000-faec1b3c9ae3e191e47d
Source of Spectrum IY-2-5045-9
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(phenylmethyl)-propan-2-ylamino]methyl]-4-triazolecarboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[benzyl(propan-2-yl)amino]methyl]triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[benzyl(isopropyl)amino]methyl]triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1658442