SpectraBase Spectrum ID |
4EwkwZwVa8z |
Name |
(3aR,5S,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H33FN2O2 |
InChI |
InChI=1S/C25H33FN2O2/c1-17-6-5-9-25(2)15-23-18(14-20(17)25)19(24(29)30-23)16-27-10-12-28(13-11-27)22-8-4-3-7-21(22)26/h3-4,7-8,14,17-19,23H,5-6,9-13,15-16H2,1-2H3/t17-,18+,19?,23+,25+/m0/s1 |
InChIKey |
VNTROCQKDUQNCB-IUMGPSSASA-N |
Molecular Weight |
412.549 g/mol |
SMILES |
C1(C(O[C@]2([C@@]1(C=C1[C@](CCC[C@@]1(C2)C)(C)[H])[H])[H])=O)CN1CCN(CC1)c1c(F)cccc1 |
SPLASH |
splash10-0006-2900000000-6e67f4cdfc0a6e4a33e4 |
Synonyms |
(3aR,5S,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[4-(2-fluorophenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
Wiley ID |
1436426 |