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

SpectraBase Compound ID	9dd20nCmzOH
InChI	InChI=1S/C26H29N9O2/c1-34(21-10-6-3-7-11-21)17-22-23(29-33-35(22)25-24(27)31-37-32-25)26(36)30-28-16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2,4-5,8-9,12-16,21H,3,6-7,10-11,17H2,1H3,(H2,27,31)(H,30,36)/b28-16+
InChIKey	RCPKZROLPXTQBW-LQKURTRISA-N Google Search
Mol Weight	499.58 g/mol
Molecular Formula	C26H29N9O2
Exact Mass	499.244421 g/mol

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SpectraBase Spectrum ID	2Shchc05l5p
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[1,1'-biphenyl]-4-ylmethylidene]-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/C26H29N9O2/c1-34(21-10-6-3-7-11-21)17-22-23(29-33-35(22)25-24(27)31-37-32-25)26(36)30-28-16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2,4-5,8-9,12-16,21H,3,6-7,10-11,17H2,1H3,(H2,27,31)(H,30,36)/b28-16+
InChIKey	RCPKZROLPXTQBW-LQKURTRISA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28074
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: D80279; Labnumber: NIG2-2066; SBI_ID: SBI-028078
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[[1,1'-biphenyl]-4-ylmethylidene]-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C