NJR
概要
| 表記: | 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide |
| 別名: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside prop-2-en-1-yl 7-O-carbamoyl-L-glycero-D-manno-heptoside; prop-2-en-1-yl 7-O-carbamoyl-L-glycero-manno-heptoside |
| 組成式: | C18 H25 Cl2 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 386.316 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-chloranyl-~{N}-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]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 | 1.06 | InChI=1S/C18H25Cl2N3O2/c1-18(2,22-15-5-3-14(20)4-6-15)17(25)23-9-7-13(8-10-23)12-21-16(24)11-19/h3-6,13,22H,7-12H2,1-2H3,(H,21,24) |
| InChIKey | InChI | 1.06 | MPRXAOMYVJCMOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Nc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES | CACTVS | 3.385 | CC(C)(Nc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccc(cc2)Cl |
