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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
SpectraBase Compound ID 2tqQoZsq4Fl
InChI InChI=1S/C22H20N4O3/c1-14-19(22(28)26(25(14)3)17-12-8-5-9-13-17)23-21(27)18-15(2)29-24-20(18)16-10-6-4-7-11-16/h4-13H,1-3H3,(H,23,27)
InChIKey SESNSKQJDHIINS-UHFFFAOYSA-N
Mol Weight 388.43 g/mol
Molecular Formula C22H20N4O3
Exact Mass 388.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dpr7GPHY3HS
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.153540517 u
Formula C22H20N4O3
InChI InChI=1S/C22H20N4O3/c1-14-19(22(28)26(25(14)3)17-12-8-5-9-13-17)23-21(27)18-15(2)29-24-20(18)16-10-6-4-7-11-16/h4-13H,1-3H3,(H,23,27)
InChIKey SESNSKQJDHIINS-UHFFFAOYSA-N
Molecular Weight 388.427 g/mol
SMILES N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)C=1C(N(C2=CC=CC=C2)N(C1C)C)=O