F1V
概要
| 表記: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide |
| 組成式: | C16 H22 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 274.358 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 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-(5-methoxy-1~{H}-indol-3-yl)ethyl]-2,2-dimethyl-propanamide |
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 | c1(OC)ccc2c(c1)c(CCNC(=O)C(C)(C)C)cn2 |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O2/c1-16(2,3)15(19)17-8-7-11-10-18-14-6-5-12(20-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19) |
| InChIKey | InChI | 1.03 | CUMVZJLZCUYFCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]cc(CCNC(=O)C(C)(C)C)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2[nH]cc(CCNC(=O)C(C)(C)C)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC |
