Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nc(ccc1)C)c2ccc(cc2C(=O)O)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21) |
InChIKey | InChI | 1.03 | JWCUSQCZMQIBMR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 |
SMILES | CACTVS | 3.385 | Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F |