2O4
概要
| 表記: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
| 組成式: | C23 H28 N4 O3 |
| 電荷: | 0 |
| 化学式量: | 408.493 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 | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
| OpenEye OEToolkits | 1.7.6 | (3R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1H-quinoxaline-5-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=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3cc(OC)ccc3CCC4 |
| InChI | InChI | 1.03 | InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | FBGWKDHQIRVFSD-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[CH](C)Nc34)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC |
