(2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-2-propenenitrile

SpectraBase Compound ID	F4A2mqjKhYZ
InChI	InChI=1S/C25H22BrN3O/c1-17-13-21(18(2)29(17)24-9-7-23(26)8-10-24)14-22(15-27)25(30)28-12-11-19-5-3-4-6-20(19)16-28/h3-10,13-14H,11-12,16H2,1-2H3/b22-14+
InChIKey	YYYRQAXVMRGQMT-HYARGMPZSA-N Google Search
Mol Weight	460.38 g/mol
Molecular Formula	C25H22BrN3O
Exact Mass	459.094625 g/mol

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SpectraBase Spectrum ID	6eezuE3IdBi
Name	(2E)-3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-2-propenenitrile
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/C25H22BrN3O/c1-17-13-21(18(2)29(17)24-9-7-23(26)8-10-24)14-22(15-27)25(30)28-12-11-19-5-3-4-6-20(19)16-28/h3-10,13-14H,11-12,16H2,1-2H3/b22-14+
InChIKey	YYYRQAXVMRGQMT-HYARGMPZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_15739
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: C75124; Labnumber: SPDEM-2370; SBI_ID: SBI-015742
Synonyms	3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-2-propenenitrile
Temperature	318 °C