9UG
概要
| 表記: | (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide |
| 組成式: | C12 H16 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 220.268 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 | (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-~{N},2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-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 | c1cc(cc2c1N(CC(C)O2)C(NC)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O2/c1-8-4-5-10-11(6-8)16-9(2)7-14(10)12(15)13-3/h4-6,9H,7H2,1-3H3,(H,13,15)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | FWSAWLIRIYMUOD-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)N1C[C@@H](C)Oc2cc(C)ccc12 |
| SMILES | CACTVS | 3.385 | CNC(=O)N1C[CH](C)Oc2cc(C)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1)OC(CN2C(=O)NC)C |
