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

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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(4-hydroxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID KtCogTa0mbg
InChI InChI=1S/C20H25N9O3/c1-28(14-5-3-2-4-6-14)12-16-17(23-27-29(16)19-18(21)25-32-26-19)20(31)24-22-11-13-7-9-15(30)10-8-13/h7-11,14,30H,2-6,12H2,1H3,(H2,21,25)(H,24,31)/b22-11+
InChIKey BTKCXXKARWLQSX-SSDVNMTOSA-N
Mol Weight 439.48 g/mol
Molecular Formula C20H25N9O3
Exact Mass 439.208036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdruFFryWvz
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(4-hydroxyphenyl)methylidene]-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 439.208035698 u
Formula C20H25N9O3
InChI InChI=1S/C20H25N9O3/c1-28(14-5-3-2-4-6-14)12-16-17(23-27-29(16)19-18(21)25-32-26-19)20(31)24-22-11-13-7-9-15(30)10-8-13/h7-11,14,30H,2-6,12H2,1H3,(H2,21,25)(H,24,31)/b22-11+
InChIKey BTKCXXKARWLQSX-SSDVNMTOSA-N
Molecular Weight 439.480 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C=3C=CC(=CC3)O)=O)N=N2)CN(C2CCCCC2)C)=NON1