Q36
概要
| 表記: | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| 組成式: | C16 H15 N3 O |
| 電荷: | 0 |
| 化学式量: | 265.31 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 | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(3-cyanophenyl)-~{N}-(4-methylpyridin-3-yl)propanamide |
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)C(C)c1cccc(C#N)c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H15N3O/c1-11-6-7-18-10-15(11)19-16(20)12(2)14-5-3-4-13(8-14)9-17/h3-8,10,12H,1-2H3,(H,19,20)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | QZIZMNNUMXCPSV-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(=O)Nc1cnccc1C)c2cccc(c2)C#N |
| SMILES | CACTVS | 3.385 | C[CH](C(=O)Nc1cnccc1C)c2cccc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)c2cccc(c2)C#N |
