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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID C0uMhFiOXUX
InChI InChI=1S/C20H24ClN9O3/c1-29(14-5-3-2-4-6-14)11-15-17(24-28-30(15)19-18(22)26-33-27-19)20(32)25-23-10-12-9-13(21)7-8-16(12)31/h7-10,14,31H,2-6,11H2,1H3,(H2,22,26)(H,25,32)/b23-10+
InChIKey JLWDKYQUOVVPGE-AUEPDCJTSA-N
Mol Weight 473.93 g/mol
Molecular Formula C20H24ClN9O3
Exact Mass 473.169063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KU0yo2neMUp
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.169063366 u
Formula C20H24ClN9O3
InChI InChI=1S/C20H24ClN9O3/c1-29(14-5-3-2-4-6-14)11-15-17(24-28-30(15)19-18(22)26-33-27-19)20(32)25-23-10-12-9-13(21)7-8-16(12)31/h7-10,14,31H,2-6,11H2,1H3,(H2,22,26)(H,25,32)/b23-10+
InChIKey JLWDKYQUOVVPGE-AUEPDCJTSA-N
Molecular Weight 473.925 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=C(C=CC(=C3)Cl)O)=O)N=N2)CN(C2CCCCC2)C)=NON1