1,3(2H,4H)-isoquinolinedione, 2-(4-chlorophenyl)-4-[[[3-(1H-imidazol-1-yl)propyl]amino]methylene]-, (4E)-

SpectraBase Compound ID	56oG5eRy8SG
InChI	InChI=1S/C22H19ClN4O2/c23-16-6-8-17(9-7-16)27-21(28)19-5-2-1-4-18(19)20(22(27)29)14-24-10-3-12-26-13-11-25-15-26/h1-2,4-9,11,13-15,24H,3,10,12H2/b20-14+
InChIKey	OEQNLMHMCKPTIC-XSFVSMFZSA-N Google Search
Mol Weight	406.87 g/mol
Molecular Formula	C22H19ClN4O2
Exact Mass	406.119654 g/mol

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SpectraBase Spectrum ID	BG7f19ZvyFF
Name	1,3(2H,4H)-isoquinolinedione, 2-(4-chlorophenyl)-4-[[[3-(1H-imidazol-1-yl)propyl]amino]methylene]-, (4E)-
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/C22H19ClN4O2/c23-16-6-8-17(9-7-16)27-21(28)19-5-2-1-4-18(19)20(22(27)29)14-24-10-3-12-26-13-11-25-15-26/h1-2,4-9,11,13-15,24H,3,10,12H2/b20-14+
InChIKey	OEQNLMHMCKPTIC-XSFVSMFZSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_7133
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: F29839; Labnumber: ExLab-236812