(7E)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-7-[4-(4-morpholinyl)benzylidene]-3-[4-(4-morpholinyl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazole

SpectraBase Compound ID	DXYJjteCqg5
InChI	InChI=1S/C35H39F3N6O3/c1-24-21-31(35(36,37)38)39-43(24)23-32(45)44-34(26-7-11-29(12-8-26)42-15-19-47-20-16-42)30-4-2-3-27(33(30)40-44)22-25-5-9-28(10-6-25)41-13-17-46-18-14-41/h5-12,21-22,30,34H,2-4,13-20,23H2,1H3/b27-22+
InChIKey	FQUPZPYBZQXDJO-HPNDGRJYSA-N Google Search
Mol Weight	648.7 g/mol
Molecular Formula	C35H39F3N6O3
Exact Mass	648.303574 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	LP4JFYMSdJJ
Name	(7E)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-7-[4-(4-morpholinyl)benzylidene]-3-[4-(4-morpholinyl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazole
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/C35H39F3N6O3/c1-24-21-31(35(36,37)38)39-43(24)23-32(45)44-34(26-7-11-29(12-8-26)42-15-19-47-20-16-42)30-4-2-3-27(33(30)40-44)22-25-5-9-28(10-6-25)41-13-17-46-18-14-41/h5-12,21-22,30,34H,2-4,13-20,23H2,1H3/b27-22+
InChIKey	FQUPZPYBZQXDJO-HPNDGRJYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9037
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/1023692; Labnumber: Gbb0217; UZI_ID: UZI-009039
Synonyms	2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-7-[4-(4-morpholinyl)benzylidene]-3-[4-(4-morpholinyl)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature	308 °C