(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

SpectraBase Compound ID	BshpJmNEmUB
InChI	InChI=1S/C25H33ClN2O2/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/h3,6-7,13,20-23H,1,4-5,8-12,14-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey	YNCPTBSBAATVIL-SSHIOZSPSA-N Google Search
Mol Weight	429.0 g/mol
Molecular Formula	C25H33ClN2O2
Exact Mass	428.223056 g/mol

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SpectraBase Spectrum ID	1Eayu41ybio
Name	(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H33ClN2O2
InChI	InChI=1S/C25H33ClN2O2/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/h3,6-7,13,20-23H,1,4-5,8-12,14-16H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey	YNCPTBSBAATVIL-SSHIOZSPSA-N
Molecular Weight	429.004 g/mol
SMILES	C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(Cl)ccc1
SPLASH	splash10-0a4i-6930000000-865eefabbf7b8f708ed0
Synonyms	(3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Wiley ID	1436379