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N-(3-Chloro-4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
SpectraBase Compound ID 5GtxzQmv9gC
InChI InChI=1S/C21H19ClN4O3/c1-12-19-15(21(28)23-13-8-9-17(29-2)16(22)10-13)11-18(27)24-20(19)26(25-12)14-6-4-3-5-7-14/h3-10,15H,11H2,1-2H3,(H,23,28)(H,24,27)
InChIKey OKPKGZKVYRTKRH-UHFFFAOYSA-N
Mol Weight 410.86 g/mol
Molecular Formula C21H19ClN4O3
Exact Mass 410.114568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ua7fDdGYiy
Name N-(3-Chloro-4-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-B]pyridine-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.114568185 u
Formula C21H19ClN4O3
InChI InChI=1S/C21H19ClN4O3/c1-12-19-15(21(28)23-13-8-9-17(29-2)16(22)10-13)11-18(27)24-20(19)26(25-12)14-6-4-3-5-7-14/h3-10,15H,11H2,1-2H3,(H,23,28)(H,24,27)
InChIKey OKPKGZKVYRTKRH-UHFFFAOYSA-N
Molecular Weight 410.861 g/mol
SMILES C12=C(C(C)=NN2C=2C=CC=CC2)C(C(NC=2C=C(Cl)C(=CC2)OC)=O)CC(N1)=O