Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)Cc1cc(cc(Cl)c1)c1ccc(C)c(F)c1F |
InChI | InChI | 1.06 | InChI=1S/C21H17ClF2N2O/c1-12-5-6-25-11-18(12)26-19(27)9-14-7-15(10-16(22)8-14)17-4-3-13(2)20(23)21(17)24/h3-8,10-11H,9H2,1-2H3,(H,26,27) |
InChIKey | InChI | 1.06 | KWOZOQHUQWBGBH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(c(F)c1F)c2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2 |
SMILES | CACTVS | 3.385 | Cc1ccc(c(F)c1F)c2cc(Cl)cc(CC(=O)Nc3cnccc3C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1F)F)c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1F)F)c2cc(cc(c2)Cl)CC(=O)Nc3cnccc3C |