1FI
概要
| 表記: | 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide |
| 組成式: | C13 H11 F3 N4 O |
| 電荷: | 0 |
| 化学式量: | 296.248 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 | 2.0.7 | 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide |
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/C13H11F3N4O/c14-13(15,16)9-4-2-1-3-8(9)7-20-12-10(11(17)21)18-5-6-19-12/h1-6H,7H2,(H2,17,21)(H,19,20) |
| InChIKey | InChI | 1.03 | RMLXGTUJQFYZEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1nccnc1NCc2ccccc2C(F)(F)F |
| SMILES | CACTVS | 3.385 | NC(=O)c1nccnc1NCc2ccccc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F |
