36X
概要
| 表記: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine |
| 組成式: | C12 H16 N2 |
| 電荷: | 0 |
| 化学式量: | 188.269 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-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-1,2,3,5,6,7-hexahydrodicyclopenta[2,1-b:2',1'-f]pyridin-8-imine |
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 | [N@H]=C1C3=C(N(C2=C1CCC2)C)CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2/c1-14-10-6-2-4-8(10)12(13)9-5-3-7-11(9)14/h13H,2-7H2,1H3 |
| InChIKey | InChI | 1.03 | YOQONBCCIYETRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C2=C(CCC2)C(=N)C3=C1CCC3 |
| SMILES | CACTVS | 3.385 | CN1C2=C(CCC2)C(=N)C3=C1CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1C2=C(CCC2)C(=N)C3=C1CCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1C2=C(CCC2)C(=N)C3=C1CCC3 |
