MDI
概要
| 表記: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide |
| 組成式: | C27 H26 F2 N4 O |
| 電荷: | 0 |
| 化学式量: | 460.518 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 | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]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/C27H26F2N4O/c1-15-9-11-19(17-10-12-18-16(2)31-32-22(18)14-17)20-6-4-8-23(24(15)20)33(3)27(34)25-21(26(28)29)7-5-13-30-25/h5,7,9-14,23,26H,4,6,8H2,1-3H3,(H,31,32)/t23-/m1/s1 |
| InChIKey | InChI | 1.06 | ZGVMLURVURNUQI-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@@H]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F |
| SMILES | CACTVS | 3.385 | CN([CH]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1[C@@H](CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c(n[nH]c5c4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1C(CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c(n[nH]c5c4)C |
