basic_info |
|
| Product_Name： | S 33138 |
| CAS： | 245514-32-3 |
| EnglishSynonyms： | S 33138 |
| pro_mdlNumber： | MFCD18252455 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CC(=O)Nc1ccc(cc1)CCN2C[C@H]3COc4ccc(cc4[C@@H]3C2)C#N |
| InChi： | InChI=1S/C22H23N3O2/c1-15(26)24-19-5-2-16(3-6-19)8-9-25-12-18-14-27-22-7-4-17(11-23)10-20(22)21(18)13-25/h2-7,10,18,21H,8-9,12-14H2,1H3,(H,24,26)/t18-,21+/m0/s1 |
| InChiKey： | InChIKey=ZDZWIQDJFWTDAM-GHTZIAJQSA-N |
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