Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H22F3N2O2P/c1-31(2,30)20-6-4-3-5-16(20)13-17(14-27)21(29)28-15-22(11-12-22)18-7-9-19(10-8-18)23(24,25)26/h3-10,13H,11-12,15H2,1-2H3,(H,28,29) |
InChIKey | InChI | 1.06 | OMAUAIOHGJMUIU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[P](C)(=O)c1ccccc1\C=C(/C#N)C(=O)NCC2(CC2)c3ccc(cc3)C(F)(F)F |
SMILES | CACTVS | 3.385 | C[P](C)(=O)c1ccccc1C=C(C#N)C(=O)NCC2(CC2)c3ccc(cc3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CP(=O)(C)c1ccccc1/C=C(\C#N)/C(=O)NCC2(CC2)c3ccc(cc3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CP(=O)(C)c1ccccc1C=C(C#N)C(=O)NCC2(CC2)c3ccc(cc3)C(F)(F)F |