OKW
概要
| 表記: | 2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide |
| 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 | 2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(6,7-dihydro-5~{H}-cyclopenta[c]pyridin-4-yl)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 |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H15ClN2O/c17-13-5-1-3-11(7-13)8-16(20)19-15-10-18-9-12-4-2-6-14(12)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20) |
| InChIKey | InChI | 1.06 | NJHYHXQHRGWKMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cncc3CCCc23)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CC(=O)Nc2cncc3CCCc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCC3 |
