HLQ
概要
| 表記: | ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
| 組成式: | C15 H15 F4 N3 |
| 電荷: | 0 |
| 化学式量: | 313.293 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 | ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
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/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22) |
| InChIKey | InChI | 1.03 | AUZFKJZRALGBMB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F |
