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3-(2-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-4-isoxazolecarboxamide

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3-(2-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 5nQT47p95AW
InChI InChI=1S/C22H19ClN4O3/c1-13-19(22(29)27(26(13)3)15-9-5-4-6-10-15)24-21(28)18-14(2)30-25-20(18)16-11-7-8-12-17(16)23/h4-12H,1-3H3,(H,24,28)
InChIKey OIBKMSSDSUAXMN-UHFFFAOYSA-N
Mol Weight 422.87 g/mol
Molecular Formula C22H19ClN4O3
Exact Mass 422.114568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaolxweLw3S
Name 3-(2-Chlorophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.114568185 u
Formula C22H19ClN4O3
InChI InChI=1S/C22H19ClN4O3/c1-13-19(22(29)27(26(13)3)15-9-5-4-6-10-15)24-21(28)18-14(2)30-25-20(18)16-11-7-8-12-17(16)23/h4-12H,1-3H3,(H,24,28)
InChIKey OIBKMSSDSUAXMN-UHFFFAOYSA-N
Molecular Weight 422.872 g/mol
SMILES C(NC=1C(N(N(C1C)C)C=1C=CC=CC1)=O)(=O)C1=C(ON=C1C=1C=CC=CC1Cl)C