ZSO
概要
| 表記: | 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole |
| 組成式: | C19 H20 F N3 O |
| 電荷: | 0 |
| 化学式量: | 325.38 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 | 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole |
| OpenEye OEToolkits | 2.0.6 | 5-[[(3~{S},4~{R})-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-2~{H}-indazole |
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 | Fc4ccc(C1CCNCC1COc3cc2cnnc2cc3)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C19H20FN3O/c20-16-3-1-13(2-4-16)18-7-8-21-10-15(18)12-24-17-5-6-19-14(9-17)11-22-23-19/h1-6,9,11,15,18,21H,7-8,10,12H2,(H,22,23)/t15-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | ICFQMYOLILBYFP-YJBOKZPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4n[nH]cc4c3 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4n[nH]cc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)c[nH]n4)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C2CCNCC2COc3ccc4c(c3)c[nH]n4)F |
