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

SpectraBase Compound ID	HrMcQdpM4t4
InChI	InChI=1S/C21H27N9O3/c1-14(11-16-9-6-10-32-16)12-23-25-21(31)18-17(13-29(2)15-7-4-3-5-8-15)30(28-24-18)20-19(22)26-33-27-20/h6,9-12,15H,3-5,7-8,13H2,1-2H3,(H2,22,26)(H,25,31)/b14-11+,23-12+
InChIKey	LGOKNQFRUDBWMJ-LIFCFNOESA-N Google Search
Mol Weight	453.51 g/mol
Molecular Formula	C21H27N9O3
Exact Mass	453.223686 g/mol

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SpectraBase Spectrum ID	6pY6Ux02w46
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E,2E)-3-(2-furyl)-2-methyl-2-propenylidene]-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/C21H27N9O3/c1-14(11-16-9-6-10-32-16)12-23-25-21(31)18-17(13-29(2)15-7-4-3-5-8-15)30(28-24-18)20-19(22)26-33-27-20/h6,9-12,15H,3-5,7-8,13H2,1-2H3,(H2,22,26)(H,25,31)/b14-11+,23-12+
InChIKey	LGOKNQFRUDBWMJ-LIFCFNOESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28110
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: D80399; Labnumber: NIG2-2655; SBI_ID: SBI-028114
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[3-(2-furyl)-2-methyl-2-propenylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C