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

SpectraBase Compound ID	JIBvXb2PQuv
InChI	InChI=1S/C20H23Cl2N9O2/c1-30(13-7-3-2-4-8-13)11-15-17(25-29-31(15)19-18(23)27-33-28-19)20(32)26-24-10-12-6-5-9-14(21)16(12)22/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H2,23,27)(H,26,32)/b24-10+
InChIKey	PMFFXHVDXAVYRS-YSURURNPSA-N Google Search
Mol Weight	492.37 g/mol
Molecular Formula	C20H23Cl2N9O2
Exact Mass	491.135176 g/mol

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SpectraBase Spectrum ID	GKfasZJQCdI
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(2,3-dichlorophenyl)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/C20H23Cl2N9O2/c1-30(13-7-3-2-4-8-13)11-15-17(25-29-31(15)19-18(23)27-33-28-19)20(32)26-24-10-12-6-5-9-14(21)16(12)22/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H2,23,27)(H,26,32)/b24-10+
InChIKey	PMFFXHVDXAVYRS-YSURURNPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28093
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: D80349; Labnumber: NIG2-2396; SBI_ID: SBI-028097
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(2,3-dichlorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C