A1Y
概要
| 表記: | 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile |
| 組成式: | C12 H15 N3 O |
| 電荷: | 0 |
| 化学式量: | 217.267 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 | 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile |
| OpenEye OEToolkits | 2.0.6 | 4,6-dimethyl-2-morpholin-4-yl-pyridine-3-carbonitrile |
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 | N2(c1c(C#N)c(C)cc(C)n1)CCOCC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3 |
| InChIKey | InChI | 1.03 | LUTZBWBXBMVIOV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c(C#N)c(n1)N2CCOCC2 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c(C#N)c(n1)N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1C#N)N2CCOCC2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(c1C#N)N2CCOCC2)C |
