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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID L2XPJyUfAL1
InChI InChI=1S/C28H24N4O2/c1-18-10-9-11-20(16-18)25-17-23(22-14-7-8-15-24(22)29-25)27(33)30-26-19(2)31(3)32(28(26)34)21-12-5-4-6-13-21/h4-17H,1-3H3,(H,30,33)
InChIKey MEWLWZBFKOASCO-UHFFFAOYSA-N
Mol Weight 448.53 g/mol
Molecular Formula C28H24N4O2
Exact Mass 448.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jgE3fE00Vi
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.189926027 u
Formula C28H24N4O2
InChI InChI=1S/C28H24N4O2/c1-18-10-9-11-20(16-18)25-17-23(22-14-7-8-15-24(22)29-25)27(33)30-26-19(2)31(3)32(28(26)34)21-12-5-4-6-13-21/h4-17H,1-3H3,(H,30,33)
InChIKey MEWLWZBFKOASCO-UHFFFAOYSA-N
Molecular Weight 448.526 g/mol
SMILES N(C=1C(N(C=2C=CC=CC2)N(C1C)C)=O)C(C=1C=C(C2=CC(C)=CC=C2)N=C2C1C=CC=C2)=O