AYN
概要
| 表記: | 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide |
| 組成式: | C16 H11 F3 N2 O |
| 電荷: | 0 |
| 化学式量: | 304.267 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 | 1-[3-(trifluoromethyl)phenyl]indole-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/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22) |
| InChIKey | InChI | 1.03 | IRJUBZXSBPCNAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cc2ccccc2n1c3cccc(c3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NC(=O)c1cc2ccccc2n1c3cccc(c3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N |
