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

SpectraBase Compound ID	2eDcyaM4K7v
InChI	InChI=1S/C22H29N9O5/c1-30(14-7-5-4-6-8-14)12-15-18(25-29-31(15)21-20(23)27-36-28-21)22(33)26-24-11-13-9-16(34-2)19(32)17(10-13)35-3/h9-11,14,32H,4-8,12H2,1-3H3,(H2,23,27)(H,26,33)/b24-11+
InChIKey	NILSOAWSHMLZJP-BHGWPJFGSA-N Google Search
Mol Weight	499.53 g/mol
Molecular Formula	C22H29N9O5
Exact Mass	499.229165 g/mol

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SpectraBase Spectrum ID	EPx3XBEf89A
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-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/C22H29N9O5/c1-30(14-7-5-4-6-8-14)12-15-18(25-29-31(15)21-20(23)27-36-28-21)22(33)26-24-11-13-9-16(34-2)19(32)17(10-13)35-3/h9-11,14,32H,4-8,12H2,1-3H3,(H2,23,27)(H,26,33)/b24-11+
InChIKey	NILSOAWSHMLZJP-BHGWPJFGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28083
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: D80310; Labnumber: NIG2-2194; SBI_ID: SBI-028087
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C