7ZW
概要
| 表記: | 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide |
| 組成式: | C16 H18 F3 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 357.328 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 | 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide |
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/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | MBIZXWSVLJMQRX-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F |
