Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C28H27F2N3O2/c1-28(2,35)14-17-3-7-23(26(30)11-17)22-8-6-19(27(34)33-10-9-21(32)16-33)12-24(22)18-4-5-20(15-31)25(29)13-18/h3-8,11-13,21,35H,9-10,14,16,32H2,1-2H3/t21-/m1/s1 |
InChIKey | InChI | 1.06 | SADVGAWKLORBLA-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[C@@H](N)C4 |
SMILES | CACTVS | 3.385 | CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[CH](N)C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(Cc1ccc(c(c1)F)c2ccc(cc2c3ccc(c(c3)F)C#N)C(=O)N4CC[C@H](C4)N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(Cc1ccc(c(c1)F)c2ccc(cc2c3ccc(c(c3)F)C#N)C(=O)N4CCC(C4)N)O |