(2E)-N-benzyl-2-cyano-3-{1-[2-(4-fluoroanilino)-2-oxoethyl]-1H-indol-3-yl}-2-propenamide

SpectraBase Compound ID	A2Grm6KlOmu
InChI	InChI=1S/C27H21FN4O2/c28-22-10-12-23(13-11-22)31-26(33)18-32-17-21(24-8-4-5-9-25(24)32)14-20(15-29)27(34)30-16-19-6-2-1-3-7-19/h1-14,17H,16,18H2,(H,30,34)(H,31,33)/b20-14+
InChIKey	ZHXMOPWLEBBMJP-XSFVSMFZSA-N Google Search
Mol Weight	452.49 g/mol
Molecular Formula	C27H21FN4O2
Exact Mass	452.164854 g/mol

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SpectraBase Spectrum ID	BJCpqkg8wXR
Name	(2E)-N-benzyl-2-cyano-3-{1-[2-(4-fluoroanilino)-2-oxoethyl]-1H-indol-3-yl}-2-propenamide
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/C27H21FN4O2/c28-22-10-12-23(13-11-22)31-26(33)18-32-17-21(24-8-4-5-9-25(24)32)14-20(15-29)27(34)30-16-19-6-2-1-3-7-19/h1-14,17H,16,18H2,(H,30,34)(H,31,33)/b20-14+
InChIKey	ZHXMOPWLEBBMJP-XSFVSMFZSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9386
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: 133335; Labnumber: AREF2K-0333; VK_ID: VK-009390
Synonyms	N-benzyl-2-cyano-3-{1-[2-(4-fluoroanilino)-2-oxoethyl]-1H-indol-3-yl}-2-propenamide
Temperature	308 °C