2-(4-{[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}-1-piperazinyl)phenyl ethyl ether

SpectraBase Compound ID	JZjzVZqmyU2
InChI	InChI=1S/C29H27N3O4/c1-2-34-26-10-6-5-9-25(26)31-13-15-32(16-14-31)29(33)22-18-24(30-23-8-4-3-7-21(22)23)20-11-12-27-28(17-20)36-19-35-27/h3-12,17-18H,2,13-16,19H2,1H3
InChIKey	YWJBBNWYUYUSMR-UHFFFAOYSA-N Google Search
Mol Weight	481.55 g/mol
Molecular Formula	C29H27N3O4
Exact Mass	481.200156 g/mol

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SpectraBase Spectrum ID	6ZfQVxP1Gbz
Name	2-(4-{[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}-1-piperazinyl)phenyl ethyl ether
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/C29H27N3O4/c1-2-34-26-10-6-5-9-25(26)31-13-15-32(16-14-31)29(33)22-18-24(30-23-8-4-3-7-21(22)23)20-11-12-27-28(17-20)36-19-35-27/h3-12,17-18H,2,13-16,19H2,1H3
InChIKey	YWJBBNWYUYUSMR-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2341
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/9512739; Labnumber: AM-AC/0192977; UZI_ID: UZI-002343
Synonyms	2-(1,3-benzodioxol-5-yl)-4-{[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl}quinoline
Temperature	308 °C