(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one

SpectraBase Compound ID	EQUWg9XSmKW
InChI	InChI=1S/C25H31ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,5-7,13-14,20-21,23H,4,8-12,15-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey	FDNWYOKGMVYWCS-ZTHJLXDFSA-N Google Search
Mol Weight	426.99 g/mol
Molecular Formula	C25H31ClN2O2
Exact Mass	426.207406 g/mol

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SpectraBase Spectrum ID	5MNTE2si5Bo
Name	(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H31ClN2O2
InChI	InChI=1S/C25H31ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,5-7,13-14,20-21,23H,4,8-12,15-16H2,1-2H3/t20-,21?,23-,25-/m1/s1
InChIKey	FDNWYOKGMVYWCS-ZTHJLXDFSA-N
Molecular Weight	426.988 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)ccc1
SPLASH	splash10-0a4i-9850200000-91115fa3507b7f3a6fdb
Synonyms	(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Wiley ID	1445096