SL8
概要
| 表記: | ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide |
| 組成式: | C19 H18 Br F3 N4 O2 |
| 電荷: | 0 |
| 化学式量: | 471.271 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 | 2.0.7 | ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide |
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/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | YGNDEESWZOXXLA-ZWKOTPCHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(CO[C@](C)(C(=N1)N)C(F)(F)F)c2cccc(NC(=O)c3ccc(Br)cn3)c2 |
| SMILES | CACTVS | 3.385 | C[C]1(CO[C](C)(C(=N1)N)C(F)(F)F)c2cccc(NC(=O)c3ccc(Br)cn3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(COC(C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br |
