Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC |
InChI | InChI | 1.06 | InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29) |
InChIKey | InChI | 1.06 | CJLMSAJFQMAPAZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(Br)c3)c1 |
SMILES | CACTVS | 3.385 | CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(Br)c3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)Br)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)Br)F |