VOZ
概要
| 表記: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone |
| 組成式: | C21 H21 N3 O |
| 電荷: | 0 |
| 化学式量: | 331.411 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2 |
| InChIKey | InChI | 1.06 | FOEUSFMNKKBIIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5 |
| SMILES | CACTVS | 3.385 | O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5 |
