47V
概要
| 表記: | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide |
| 組成式: | C12 H12 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 216.236 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 | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 2,5-dimethyl-N-pyridin-4-yl-furan-3-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 |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(oc1C)C)Nc2ccncc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O2/c1-8-7-11(9(2)16-8)12(15)14-10-3-5-13-6-4-10/h3-7H,1-2H3,(H,13,14,15) |
| InChIKey | InChI | 1.03 | LSWLYNGTJMNMRF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(C)c(c1)C(=O)Nc2ccncc2 |
| SMILES | CACTVS | 3.385 | Cc1oc(C)c(c1)C(=O)Nc2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(c(o1)C)C(=O)Nc2ccncc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(c(o1)C)C(=O)Nc2ccncc2 |
