YGH
概要
| 表記: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole |
| 組成式: | C15 H19 F N2 O |
| 電荷: | 0 |
| 化学式量: | 262.323 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 | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole |
| OpenEye OEToolkits | 2.0.7 | 4-fluoranyl-5-methoxy-3-(2-pyrrolidin-1-ylethyl)-1~{H}-indole |
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 | COc1ccc2[NH]cc(CCN3CCCC3)c2c1F |
| InChI | InChI | 1.06 | InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | FJCRAYWNOXUYOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]cc(CCN3CCCC3)c2c1F |
| SMILES | CACTVS | 3.385 | COc1ccc2[nH]cc(CCN3CCCC3)c2c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1F)c(c[nH]2)CCN3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1F)c(c[nH]2)CCN3CCCC3 |
