種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1 |
InChIKey | InChI | 1.06 | WFJMXJRCQHLHHH-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)C[C@]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES | CACTVS | 3.385 | CNC(=O)C[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |