(2E)-2-cyano-3-{2,5-dimethyl-1-[3-nitro-4-(1-piperidinyl)phenyl]-1H-pyrrol-3-yl}-N-(4-methylphenyl)-2-propenamide

SpectraBase Compound ID	mC9e9Lq8l6
InChI	InChI=1S/C28H29N5O3/c1-19-7-9-24(10-8-19)30-28(34)23(18-29)16-22-15-20(2)32(21(22)3)25-11-12-26(27(17-25)33(35)36)31-13-5-4-6-14-31/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,30,34)/b23-16+
InChIKey	LIPMTXZLNBPHBD-XQNSMLJCSA-N Google Search
Mol Weight	483.57 g/mol
Molecular Formula	C28H29N5O3
Exact Mass	483.22704 g/mol

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SpectraBase Spectrum ID	GY7QIT1CW6L
Name	(2E)-2-cyano-3-{2,5-dimethyl-1-[3-nitro-4-(1-piperidinyl)phenyl]-1H-pyrrol-3-yl}-N-(4-methylphenyl)-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/C28H29N5O3/c1-19-7-9-24(10-8-19)30-28(34)23(18-29)16-22-15-20(2)32(21(22)3)25-11-12-26(27(17-25)33(35)36)31-13-5-4-6-14-31/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,30,34)/b23-16+
InChIKey	LIPMTXZLNBPHBD-XQNSMLJCSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_5483
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: D25990; Labnumber: SPDEM-1625; SBI_ID: SBI-005485
Synonyms	2-cyano-3-{2,5-dimethyl-1-[3-nitro-4-(1-piperidinyl)phenyl]-1H-pyrrol-3-yl}-N-(4-methylphenyl)-2-propenamide
Temperature	318 °C