2,4-bis(chloranyl)-N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzamide

SpectraBase Compound ID	Iimd56UuYI7
InChI	InChI=1S/C19H19Cl3N4O2/c1-25-6-8-26(9-7-25)17-5-3-13(11-16(17)22)23-19(28)24-18(27)14-4-2-12(20)10-15(14)21/h2-5,10-11H,6-9H2,1H3,(H2,23,24,27,28)
InChIKey	OMFRSFBAAATDIA-UHFFFAOYSA-N Google Search
Mol Weight	441.75 g/mol
Molecular Formula	C19H19Cl3N4O2
Exact Mass	440.057359 g/mol

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SpectraBase Spectrum ID	9oeJ2NbbhbT
Name	2,4-bis(Chloranyl)-N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	440.057358966 u
Formula	C19H19Cl3N4O2
InChI	InChI=1S/C19H19Cl3N4O2/c1-25-6-8-26(9-7-25)17-5-3-13(11-16(17)22)23-19(28)24-18(27)14-4-2-12(20)10-15(14)21/h2-5,10-11H,6-9H2,1H3,(H2,23,24,27,28)
InChIKey	OMFRSFBAAATDIA-UHFFFAOYSA-N
Molecular Weight	441.746 g/mol
SMILES	C(NC(NC1=CC(Cl)=C(N2CCN(CC2)C)C=C1)=O)(C1=C(C=C(C=C1)Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.921295