(7E)-7-benzylidene-2-[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole

SpectraBase Compound ID	AYOPwiSNsCY
InChI	InChI=1S/C26H25N5O3/c1-2-29-17-22(31(33)34)24(27-29)26(32)30-25(19-12-7-4-8-13-19)21-15-9-14-20(23(21)28-30)16-18-10-5-3-6-11-18/h3-8,10-13,16-17,21,25H,2,9,14-15H2,1H3/b20-16+
InChIKey	WZHHHDJSUCNATG-CAPFRKAQSA-N Google Search
Mol Weight	455.52 g/mol
Molecular Formula	C26H25N5O3
Exact Mass	455.19574 g/mol

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SpectraBase Spectrum ID	8BVMaqDIWiF
Name	(7E)-7-benzylidene-2-[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]-3-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/C26H25N5O3/c1-2-29-17-22(31(33)34)24(27-29)26(32)30-25(19-12-7-4-8-13-19)21-15-9-14-20(23(21)28-30)16-18-10-5-3-6-11-18/h3-8,10-13,16-17,21,25H,2,9,14-15H2,1H3/b20-16+
InChIKey	WZHHHDJSUCNATG-CAPFRKAQSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9020
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/1025083; Labnumber: Gbb0191; UZI_ID: UZI-009022
Synonyms	7-benzylidene-2-[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature	308 °C