ZVE
概要
| 表記: | (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine |
| 組成式: | C10 H14 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 233.233 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 | (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine |
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 | Cn1cc(nc1C1CNCCC1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | ZPUMPEAGLZCEBQ-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(nc1C2CCCNC2)C(F)(F)F |
