2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

SpectraBase Compound ID	5SNp6KGCLWp
InChI	InChI=1S/C22H23BrN4O2S/c23-16-11-25-27(13-16)12-14-6-5-7-15(10-14)21(29)26-22-19(20(24)28)17-8-3-1-2-4-9-18(17)30-22/h5-7,10-11,13H,1-4,8-9,12H2,(H2,24,28)(H,26,29)
InChIKey	CKKPHWUGUUEMIT-UHFFFAOYSA-N Google Search
Mol Weight	487.42 g/mol
Molecular Formula	C22H23BrN4O2S
Exact Mass	486.07251 g/mol

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SpectraBase Spectrum ID	EoFnTw087LW
Name	2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
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/C22H23BrN4O2S/c23-16-11-25-27(13-16)12-14-6-5-7-15(10-14)21(29)26-22-19(20(24)28)17-8-3-1-2-4-9-18(17)30-22/h5-7,10-11,13H,1-4,8-9,12H2,(H2,24,28)(H,26,29)
InChIKey	CKKPHWUGUUEMIT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_18612
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: UZI/9075281; Labnumber: UGB-0002979; UZI_ID: UZI-018619
Temperature	318 °C