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

SpectraBase Compound ID	4AChN6jtbHx
InChI	InChI=1S/C20H24ClN9O2/c1-29(15-8-3-2-4-9-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-6-5-7-14(21)10-13/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey	GVCKQBCMGAQHOE-FOKLQQMPSA-N Google Search
Mol Weight	457.93 g/mol
Molecular Formula	C20H24ClN9O2
Exact Mass	457.174149 g/mol

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SpectraBase Spectrum ID	9CluWn2FsGs
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H24ClN9O2/c1-29(15-8-3-2-4-9-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-6-5-7-14(21)10-13/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey	GVCKQBCMGAQHOE-FOKLQQMPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28120
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D80439; Labnumber: NIG2-2877; SBI_ID: SBI-028124
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-chlorophenyl)methylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	308 °C