NXJ
概要
| 表記: | (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide |
| 組成式: | C12 H16 N2 O |
| 電荷: | 0 |
| 化学式量: | 204.268 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 | (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide |
| OpenEye OEToolkits | 2.0.6 | (1~{S})-~{N},2,2-trimethyl-~{N}-pyridin-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 | n2cccc(N(C)C(=O)C1C(C1)(C)C)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c1-12(2)7-10(12)11(15)14(3)9-5-4-6-13-8-9/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | TVMZQESCEGRMKC-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)[C@H]1CC1(C)C)c2cccnc2 |
| SMILES | CACTVS | 3.385 | CN(C(=O)[CH]1CC1(C)C)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CC1C(=O)N(C)c2cccnc2)C |
