(3aR,8aR,9aR)-5,8a-dimethyl-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

SpectraBase Compound ID	F4txGQC2euc
InChI	InChI=1S/C26H33F3N2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(32)33-23)16-30-9-11-31(12-10-30)19-7-3-6-18(13-19)26(27,28)29/h3,6-7,13,20-21,23H,4-5,8-12,14-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey	JWYNWNZVYGMCGY-ZTHJLXDFSA-N Google Search
Mol Weight	462.6 g/mol
Molecular Formula	C26H33F3N2O2
Exact Mass	462.249413 g/mol

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SpectraBase Spectrum ID	Ldarbd9icHd
Name	(3aR,8aR,9aR)-5,8a-dimethyl-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H33F3N2O2
InChI	InChI=1S/C26H33F3N2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(32)33-23)16-30-9-11-31(12-10-30)19-7-3-6-18(13-19)26(27,28)29/h3,6-7,13,20-21,23H,4-5,8-12,14-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey	JWYNWNZVYGMCGY-ZTHJLXDFSA-N
Molecular Weight	462.557 g/mol
SMILES	C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(C(F)(F)F)ccc1
SPLASH	splash10-01ox-9880100000-f773c8768b5b8d6b7805
Synonyms	(3aR,8aR,9aR)-5,8a-dimethyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-5,8a-dimethyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-5,8a-dimethyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Wiley ID	1445084