(3aR,8aR,9aR)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one

SpectraBase Compound ID	3C0neeBhxjz
InChI	InChI=1S/C26H33ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h5-7,13-14,20-21,24H,4,8-12,15-16H2,1-3H3/t20-,21?,24-,26-/m1/s1
InChIKey	SDFFXZBPKQGUHN-XAQHNUDOSA-N Google Search
Mol Weight	441.0 g/mol
Molecular Formula	C26H33ClN2O2
Exact Mass	440.223056 g/mol

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SpectraBase Spectrum ID	Eus58WY12L5
Name	(3aR,8aR,9aR)-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H33ClN2O2
InChI	InChI=1S/C26H33ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h5-7,13-14,20-21,24H,4,8-12,15-16H2,1-3H3/t20-,21?,24-,26-/m1/s1
InChIKey	SDFFXZBPKQGUHN-XAQHNUDOSA-N
Molecular Weight	441.015 g/mol
SMILES	C1(C(O[C@]2([C@@]1(C=C1C(=CCC[C@@]1(C2)C)C)[H])[H])=O)CN1CCN(CC1)c1cc(Cl)ccc1C
SPLASH	splash10-006x-7960400000-55faa77cec8ba0eb6680
Synonyms	(3aR,8aR,9aR)-3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
Wiley ID	1445097