3-Benzoylamino-1-[(1,2,4-triazolo[4,3-b]pyridazin-6-yl)amino]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

SpectraBase Compound ID	HGS0dKNio7F
InChI	InChI=1S/C21H17N7O3/c29-17-8-4-7-16-14(17)11-15(23-20(30)13-5-2-1-3-6-13)21(31)28(16)26-18-9-10-19-24-22-12-27(19)25-18/h1-3,5-6,9-12H,4,7-8H2,(H,23,30)(H,25,26)
InChIKey	ZOMOLGKSZMEGAP-UHFFFAOYSA-N Google Search
Mol Weight	415.41 g/mol
Molecular Formula	C21H17N7O3
Exact Mass	415.139287 g/mol

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SpectraBase Spectrum ID	1XdZOs5Ufax
Name	3-Benzoylamino-1-[(1,2,4-triazolo[4,3-b]pyridazin-6-yl)amino]-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H17N7O3
InChI	InChI=1S/C21H17N7O3/c29-17-8-4-7-16-14(17)11-15(23-20(30)13-5-2-1-3-6-13)21(31)28(16)26-18-9-10-19-24-22-12-27(19)25-18/h1-3,5-6,9-12H,4,7-8H2,(H,23,30)(H,25,26)
InChIKey	ZOMOLGKSZMEGAP-UHFFFAOYSA-N
Molecular Weight	415.413 g/mol
SMILES	N(C=1C(N(C2=C(C1)C(CCC2)=O)NC1=N[n]2cnnc2C=C1)=O)C(=O)c1ccccc1
SPLASH	splash10-0a4i-0900100000-3e709c7a6a492da257fb
Source of Spectrum	F-53-1388-8
Synonyms	N-[2,5-dioxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)-1,2,5,6,7,8-hexahydro-3-quinolinyl]benzamide
Wiley ID	800333