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

SpectraBase Compound ID	KaVMfl6vAa7
InChI	InChI=1S/C23H31N9O3/c1-15(2)34-18-11-9-16(10-12-18)13-25-27-23(33)20-19(14-31(3)17-7-5-4-6-8-17)32(30-26-20)22-21(24)28-35-29-22/h9-13,15,17H,4-8,14H2,1-3H3,(H2,24,28)(H,27,33)/b25-13+
InChIKey	BLCXNMFJTXUVCX-DHRITJCHSA-N Google Search
Mol Weight	481.56 g/mol
Molecular Formula	C23H31N9O3
Exact Mass	481.254986 g/mol

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SpectraBase Spectrum ID	ItRFeU6CTIN
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(4-isopropoxyphenyl)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/C23H31N9O3/c1-15(2)34-18-11-9-16(10-12-18)13-25-27-23(33)20-19(14-31(3)17-7-5-4-6-8-17)32(30-26-20)22-21(24)28-35-29-22/h9-13,15,17H,4-8,14H2,1-3H3,(H2,24,28)(H,27,33)/b25-13+
InChIKey	BLCXNMFJTXUVCX-DHRITJCHSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3677
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: D80067; Labnumber: NIG2-0945; SBI_ID: SBI-003679
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(4-isopropoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C