basic_info |
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| Product_Name: | 4-BUTYL-1,2-DIHYDRO-5-((1-ADAMANTANECARBONYL)OXY)-1,2-DIPHENYL-3H-PYRAZOL-3-ONE |
| CAS: | 87792-13-0 |
| EnglishSynonyms: | 4-BUTYL-1,2-DIHYDRO-5-((1-ADAMANTANECARBONYL)OXY)-1,2-DIPHENYL-3H-PYRAZOL-3-ONE |
| pro_mdlNumber: | MFCD01678024 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | CCCCc1c(=O)n(n(c1OC(=O)[C@@]23C[C@H]4C[C@@H](C2)C[C@H](C4)C3)c5ccccc5)c6ccccc6 |
| InChi: | InChI=1S/C30H34N2O3/c1-2-3-14-26-27(33)31(24-10-6-4-7-11-24)32(25-12-8-5-9-13-25)28(26)35-29(34)30-18-21-15-22(19-30)17-23(16-21)20-30/h4-13,21-23H,2-3,14-20H2,1H3/t21-,22+,23-,30- |
| InChiKey: | InChIKey=FOBIEMIYPMYDIM-XEKWSLBJSA-N |
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