FVX
概要
| 表記: | Fluvoxamine |
| 別名: | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine |
| 組成式: | C15 H21 F3 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 318.335 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 | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine |
| OpenEye OEToolkits | 1.7.6 | 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine |
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 | FC(F)(F)c1ccc(\C(=N\OCCN)CCCCOC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ |
| InChIKey | InChI | 1.03 | CJOFXWAVKWHTFT-XSFVSMFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.370 | COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F |
