LBO
概要
| 表記: | 2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 組成式: | C17 H18 N2 O |
| 電荷: | 0 |
| 化学式量: | 266.338 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-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-cyclopropylphenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
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(Nc1cnccc1C)Cc1cccc(c1)C1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C17H18N2O/c1-12-7-8-18-11-16(12)19-17(20)10-13-3-2-4-15(9-13)14-5-6-14/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.06 | PTTAFUMPUWHBTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
