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(2Z)-3-(1-benzyl-3-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2-fluorophenyl)-2-propenamide

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(2Z)-3-(1-benzyl-3-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2-fluorophenyl)-2-propenamide
SpectraBase Compound ID I4GIna5kd1N
InChI InChI=1S/C26H19FN4O/c27-23-13-7-8-14-24(23)29-26(32)21(16-28)15-22-18-31(17-19-9-3-1-4-10-19)30-25(22)20-11-5-2-6-12-20/h1-15,18H,17H2,(H,29,32)/b21-15-
InChIKey VCOBZMKOQOXVPI-QNGOZBTKSA-N
Mol Weight 422.46 g/mol
Molecular Formula C26H19FN4O
Exact Mass 422.154289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGqvLHE89IZ
Name (2Z)-3-(1-Benzyl-3-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2-fluorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.154289410 u
Formula C26H19FN4O
InChI InChI=1S/C26H19FN4O/c27-23-13-7-8-14-24(23)29-26(32)21(16-28)15-22-18-31(17-19-9-3-1-4-10-19)30-25(22)20-11-5-2-6-12-20/h1-15,18H,17H2,(H,29,32)/b21-15-
InChIKey VCOBZMKOQOXVPI-QNGOZBTKSA-N
Molecular Weight 422.463 g/mol
SMILES N(C(\C(=C/C=1C(=NN(C1)CC1=CC=CC=C1)C1=CC=CC=C1)C#N)=O)C1=C(F)C=CC=C1