Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H17F3N4O2/c1-3-15(12-4-6-13(7-5-12)27-18(19,20)21)24-17(26)14-9-23-25-10-11(2)8-22-16(14)25/h4-10,15H,3H2,1-2H3,(H,24,26)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | CXEGBNQZVKLHTO-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](NC(=O)c1cnn2cc(C)cnc12)c3ccc(OC(F)(F)F)cc3 |
SMILES | CACTVS | 3.385 | CC[CH](NC(=O)c1cnn2cc(C)cnc12)c3ccc(OC(F)(F)F)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C |