GH5
概要
表記: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one |
組成式: | C17 H18 F3 N3 O2 |
電荷: | 0 |
化学式量: | 353.339 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
OpenEye OEToolkits | 2.0.6 | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2 |
InChIKey | InChI | 1.03 | ROEPMLPFAFHQCH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3 |
SMILES | CACTVS | 3.385 | FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F |