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

SpectraBase Compound ID	Jg2LqjVtUdo
InChI	InChI=1S/C26H18ClFN4O/c27-22-12-10-18(11-13-22)16-32-17-21(25(31-32)19-6-2-1-3-7-19)14-20(15-29)26(33)30-24-9-5-4-8-23(24)28/h1-14,17H,16H2,(H,30,33)/b20-14-
InChIKey	LHOQLCCFLOPXCX-ZHZULCJRSA-N Google Search
Mol Weight	456.91 g/mol
Molecular Formula	C26H18ClFN4O
Exact Mass	456.115317 g/mol

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SpectraBase Spectrum ID	DTVEfkS4D5W
Name	(2Z)-3-[1-(4-Chlorobenzyl)-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	456.115317078 u
Formula	C26H18ClFN4O
InChI	InChI=1S/C26H18ClFN4O/c27-22-12-10-18(11-13-22)16-32-17-21(25(31-32)19-6-2-1-3-7-19)14-20(15-29)26(33)30-24-9-5-4-8-23(24)28/h1-14,17H,16H2,(H,30,33)/b20-14-
InChIKey	LHOQLCCFLOPXCX-ZHZULCJRSA-N
Molecular Weight	456.908 g/mol
SMILES	N(C(\C(=C/C=1C(=NN(C1)CC1=CC=C(C=C1)Cl)C1=CC=CC=C1)C#N)=O)C1=C(F)C=CC=C1