種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CCc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C19H17ClN2O/c1-2-13-7-14(9-16(20)8-13)10-19(23)22-18-12-21-11-15-5-3-4-6-17(15)18/h3-9,11-12H,2,10H2,1H3,(H,22,23) |
InChIKey | InChI | 1.06 | AJZWQKNTPFPYEK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
SMILES | CACTVS | 3.385 | CCc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |