GGN
概要
| 表記: | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
| 組成式: | C21 H20 F3 N3 O S |
| 電荷: | 0 |
| 化学式量: | 419.463 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 | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
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/C21H20F3N3OS/c1-2-3-17-12-16(8-10-25-17)20-27-18(13-29-20)14-4-6-15(7-5-14)19(28)26-11-9-21(22,23)24/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28) |
| InChIKey | InChI | 1.03 | QQMRZMWCFAMSQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F |
| SMILES | CACTVS | 3.385 | CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F |
