SB6
概要
| 表記: | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE |
| 別名: | SB216995 PYRIDINYLIMIDAZOLE |
| 組成式: | C18 H16 F N3 |
| 電荷: | 0 |
| 化学式量: | 293.338 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine |
| OpenEye OEToolkits | 1.5.0 | 4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine |
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 | 10.04 | Fc4ccc(c1ncn(c1c2ccncc2)CC3CC3)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(cc1)c2ncn(CC3CC3)c2c4ccncc4 |
| SMILES | CACTVS | 3.341 | Fc1ccc(cc1)c2ncn(CC3CC3)c2c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F |
| InChI | InChI | 1.03 | InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2 |
| InChIKey | InChI | 1.03 | ROKOFZNQCIIJMI-UHFFFAOYSA-N |
