Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c3cc(N2C(=O)N(C)C(c1ccc(O)cc1)(C2=O)C)ccc3C#N |
InChI | InChI | 1.03 | InChI=1S/C19H14F3N3O3/c1-18(12-4-7-14(26)8-5-12)16(27)25(17(28)24(18)2)13-6-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3/t18-/m1/s1 |
InChIKey | InChI | 1.03 | IHPVXUVRRPAUIQ-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)N(c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[C@@]1(C)c3ccc(O)cc3 |
SMILES | CACTVS | 3.370 | CN1C(=O)N(c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[C]1(C)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O |