Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(NC(=O)C1CC(CN(C1)C(c3cc(cc(c2ccncc2)c3)F)=O)(F)F)ccc(c4)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H19ClF3N3O2/c25-19-1-3-21(4-2-19)30-22(32)18-12-24(27,28)14-31(13-18)23(33)17-9-16(10-20(26)11-17)15-5-7-29-8-6-15/h1-11,18H,12-14H2,(H,30,32)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | BEDJWRJGMARXLZ-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(cc(c1)c2ccncc2)C(=O)N3C[C@@H](CC(F)(F)C3)C(=O)Nc4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | Fc1cc(cc(c1)c2ccncc2)C(=O)N3C[CH](CC(F)(F)C3)C(=O)Nc4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)[C@@H]2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)C2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl |