SpectraBase Spectrum ID |
EQl75fVZKEe |
Name |
(3aR,5S,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[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/h3,6-7,13-14,17,20-21,23H,4-5,8-12,15-16H2,1-2H3/t17-,20+,21?,23+,25+/m0/s1 |
InChIKey |
NRPJJWPRMONTBJ-HZZSDGONSA-N |
Molecular Weight |
429.004 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)c1cc(Cl)ccc1 |
SPLASH |
splash10-0a4i-2960200000-5067eb6548b25b3eb3a1 |
Synonyms |
(3aR,5S,8aR,9aR)-3-[[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
Wiley ID |
1436428 |