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概要
| 表記: | 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
| 組成式: | C16 H15 Cl N2 O |
| 電荷: | 0 |
| 化学式量: | 286.756 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chlorophenyl)-~{N}-(4-methylpyridin-3-yl)cyclopropane-1-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 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C1(CC1)c1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H15ClN2O/c1-11-5-8-18-10-14(11)19-15(20)16(6-7-16)12-3-2-4-13(17)9-12/h2-5,8-10H,6-7H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.06 | AIYYCYBWGZIFKY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)C2(CC2)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)C2(CC2)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2(CC2)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C2(CC2)c3cccc(c3)Cl |
