3-(2-chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4-isoxazolecarboxamide

SpectraBase Compound ID	4MiWjlzMSWc
InChI	InChI=1S/C22H19ClN4O2/c1-14-7-9-16(10-8-14)13-27-12-11-19(25-27)24-22(28)20-15(2)29-26-21(20)17-5-3-4-6-18(17)23/h3-12H,13H2,1-2H3,(H,24,25,28)
InChIKey	QRRASSCLFCZNNO-UHFFFAOYSA-N Google Search
Mol Weight	406.87 g/mol
Molecular Formula	C22H19ClN4O2
Exact Mass	406.119654 g/mol

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SpectraBase Spectrum ID	25M3cduCA5E
Name	3-(2-Chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4-isoxazolecarboxamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	406.119653566 u
Formula	C22H19ClN4O2
InChI	InChI=1S/C22H19ClN4O2/c1-14-7-9-16(10-8-14)13-27-12-11-19(25-27)24-22(28)20-15(2)29-26-21(20)17-5-3-4-6-18(17)23/h3-12H,13H2,1-2H3,(H,24,25,28)
InChIKey	QRRASSCLFCZNNO-UHFFFAOYSA-N
Molecular Weight	406.873 g/mol
SMILES	N(C1=NN(C=C1)CC1=CC=C(C)C=C1)C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1)=O