1,3(2H,4H)-isoquinolinedione, 4-[[[2-(dimethylamino)-2-phenylethyl]amino]methylene]-2-(3-methoxyphenyl)-, (4E)-

SpectraBase Compound ID	I2hUygSb6Xw
InChI	InChI=1S/C27H27N3O3/c1-29(2)25(19-10-5-4-6-11-19)18-28-17-24-22-14-7-8-15-23(22)26(31)30(27(24)32)20-12-9-13-21(16-20)33-3/h4-17,25,28H,18H2,1-3H3/b24-17+
InChIKey	MKAPJRABARRWGV-JJIBRWJFSA-N Google Search
Mol Weight	441.53 g/mol
Molecular Formula	C27H27N3O3
Exact Mass	441.205242 g/mol

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SpectraBase Spectrum ID	IyHobuFn1Ds
Name	1,3(2H,4H)-isoquinolinedione, 4-[[[2-(dimethylamino)-2-phenylethyl]amino]methylene]-2-(3-methoxyphenyl)-, (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/C27H27N3O3/c1-29(2)25(19-10-5-4-6-11-19)18-28-17-24-22-14-7-8-15-23(22)26(31)30(27(24)32)20-12-9-13-21(16-20)33-3/h4-17,25,28H,18H2,1-3H3/b24-17+
InChIKey	MKAPJRABARRWGV-JJIBRWJFSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8612
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: F33084; Labnumber: ExLab-236960