N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide

SpectraBase Compound ID	fIOoevteuy
InChI	InChI=1S/C22H25FN4O3/c1-16-5-7-19(8-6-16)25-21(29)20(28)24-9-10-26-11-13-27(14-12-26)22(30)17-3-2-4-18(23)15-17/h2-8,15H,9-14H2,1H3,(H,24,28)(H,25,29)
InChIKey	TWFDBKDPOFIATQ-UHFFFAOYSA-N Google Search
Mol Weight	412.47 g/mol
Molecular Formula	C22H25FN4O3
Exact Mass	412.191069 g/mol

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SpectraBase Spectrum ID	5Ik6ADV1PPG
Name	N-[2-[4-(3-Fluorobenzoyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	412.191068841 u
Formula	C22H25FN4O3
InChI	InChI=1S/C22H25FN4O3/c1-16-5-7-19(8-6-16)25-21(29)20(28)24-9-10-26-11-13-27(14-12-26)22(30)17-3-2-4-18(23)15-17/h2-8,15H,9-14H2,1H3,(H,24,28)(H,25,29)
InChIKey	TWFDBKDPOFIATQ-UHFFFAOYSA-N
Molecular Weight	412.465 g/mol
SMILES	C(N1CCN(CC1)CCNC(C(NC1=CC=C(C=C1)C)=O)=O)(C=1C=C(F)C=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.929824