Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc3ncccc3c4ncncc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc3ncccc3c4ccncn4 |
SMILES | CACTVS | 3.341 | Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc3ncccc3c4ccncn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C24H18F3N5O/c1-15-7-8-18(31-23(33)16-4-2-5-17(12-16)24(25,26)27)13-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33) |
InChIKey | InChI | 1.03 | NESXBRNDMQUVNG-UHFFFAOYSA-N |