種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc2CCN(C)C(c2c1)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C20H18ClN3O/c1-24-9-8-13-6-7-15(21)10-17(13)19(24)20(25)23-18-12-22-11-14-4-2-3-5-16(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,23,25)/t19-/m1/s1 |
InChIKey | InChI | 1.06 | NHDKKXCWRNZVNJ-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCc2ccc(Cl)cc2[C@@H]1C(=O)Nc3cncc4ccccc34 |
SMILES | CACTVS | 3.385 | CN1CCc2ccc(Cl)cc2[CH]1C(=O)Nc3cncc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl |