HUY
概要
| 表記: | 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one |
| 組成式: | C15 H12 F3 N O |
| 電荷: | 0 |
| 化学式量: | 279.257 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]ethanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3 |
| InChIKey | InChI | 1.03 | IYINOXIKOXORQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
