AJJ
概要
| 表記: | 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol |
| 組成式: | C14 H17 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 259.304 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-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol |
| OpenEye OEToolkits | 2.0.6 | 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol |
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 | C1CN(C)CCC1c2noc(n2)c3ccc(cc3)O |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | BGJREFNVLIBEOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)c2noc(n2)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)c2noc(n2)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O |
