E5W
概要
| 表記: | 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol |
| 組成式: | C17 H20 F2 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 322.35 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.6 | 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | ASWANVCVFDVNLN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2cc(O)cc(CN3CCC(F)(F)CC3)c2 |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2cc(O)cc(CN3CCC(F)(F)CC3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F |
