Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c3cc(F)ccc3Cl)c21)c1ccc2ncnn2c1C#N |
InChI | InChI | 1.06 | InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1 |
InChIKey | InChI | 1.06 | VYWRYBZVVSPTQN-SANMLTNESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(Cl)c(c1)[C@@H]2NC(=O)c3cc(cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)c23)c5ccc6ncnn6c5C#N |
SMILES | CACTVS | 3.385 | Fc1ccc(Cl)c(c1)[CH]2NC(=O)c3cc(cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)c23)c5ccc6ncnn6c5C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)[C@H]2c3c(cc(cc3NC(=O)c4cc(cc(c4)F)C(F)(F)F)c5ccc6ncnn6c5C#N)C(=O)N2)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)C2c3c(cc(cc3NC(=O)c4cc(cc(c4)F)C(F)(F)F)c5ccc6ncnn6c5C#N)C(=O)N2)Cl |