O06
概要
| 表記: | ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| 組成式: | C23 H27 F3 N4 O3 |
| 電荷: | 0 |
| 化学式量: | 464.481 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 | 3.1.0.0 | ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)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 | 1.06 | InChI=1S/C23H27F3N4O3/c1-21(2,32)10-9-19-28-16-11-13(22(3,4)33)15(12-17(16)30(19)5)29-20(31)14-7-6-8-18(27-14)23(24,25)26/h6-8,11-12,32-33H,9-10H2,1-5H3,(H,29,31) |
| InChIKey | InChI | 1.06 | HRMRCQCPDQTKCV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3)C(F)(F)F)cc12)C(C)(C)O |
| SMILES | CACTVS | 3.385 | Cn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3)C(F)(F)F)cc12)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CCc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)C(C)(C)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(CCc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)C(C)(C)O)O |
