3-Cyano-2-ethoxy-5-formyl-6-{N-4-[2-trifluoromethylphenethyl]piperazinyl}-4-phenylpyridine

SpectraBase Compound ID	8lc5qAOqsdx
InChI	InChI=1S/C28H27F3N4O2/c1-2-37-27-23(18-32)25(21-6-4-3-5-7-21)24(19-36)26(33-27)35-16-14-34(15-17-35)13-12-20-8-10-22(11-9-20)28(29,30)31/h3-11,19H,2,12-17H2,1H3
InChIKey	ILRQYRGWZUEZGT-UHFFFAOYSA-N Google Search
Mol Weight	508.55 g/mol
Molecular Formula	C28H27F3N4O2
Exact Mass	508.208611 g/mol

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SpectraBase Spectrum ID	6vEiEm3y8WB
Name	3-Cyano-2-ethoxy-5-formyl-6-{N-4-[2-trifluoromethylphenethyl]piperazinyl}-4-phenylpyridine
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	508.208610612 u
Formula	C28H27F3N4O2
InChI	InChI=1S/C28H27F3N4O2/c1-2-37-27-23(18-32)25(21-6-4-3-5-7-21)24(19-36)26(33-27)35-16-14-34(15-17-35)13-12-20-8-10-22(11-9-20)28(29,30)31/h3-11,19H,2,12-17H2,1H3
InChIKey	ILRQYRGWZUEZGT-UHFFFAOYSA-N
Molecular Weight	508.545 g/mol
SMILES	C=1(C(=C(C=2C=CC=CC2)C(=C(N1)OCC)C#N)C=O)N1CCN(CC1)CCC=1C=CC(C(F)(F)F)=CC1