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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(4-fluorophenyl)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-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 9EflODwc8p9
InChI InChI=1S/C20H24FN9O2/c1-29(15-5-3-2-4-6-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-7-9-14(21)10-8-13/h7-11,15H,2-6,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey LGCAYVSKIHTJOU-FOKLQQMPSA-N
Mol Weight 441.47 g/mol
Molecular Formula C20H24FN9O2
Exact Mass 441.203699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZmBrHQhg1s
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(4-fluorophenyl)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 441.203699210 u
Formula C20H24FN9O2
InChI InChI=1S/C20H24FN9O2/c1-29(15-5-3-2-4-6-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-7-9-14(21)10-8-13/h7-11,15H,2-6,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey LGCAYVSKIHTJOU-FOKLQQMPSA-N
Molecular Weight 441.471 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C=3C=CC(=CC3)F)=O)N=N2)CN(C2CCCCC2)C)=NON1