S77
概要
| 表記: | 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine |
| 組成式: | C18 H19 F N6 |
| 電荷: | 0 |
| 化学式量: | 338.382 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 | 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine |
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/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | AJIAMIPUWJQSPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnnc1C2CCN(CC2)c3ncccc3c4ccc(F)nc4 |
| SMILES | CACTVS | 3.385 | Cn1cnnc1C2CCN(CC2)c3ncccc3c4ccc(F)nc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F |
