Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3c(NC(=O)c2ccc(OC(F)F)c(OCC1CC1)c2)c(Cl)cnc3 |
SMILES_CANONICAL | CACTVS | 3.341 | FC(F)Oc1ccc(cc1OCC2CC2)C(=O)Nc3c(Cl)cncc3Cl |
SMILES | CACTVS | 3.341 | FC(F)Oc1ccc(cc1OCC2CC2)C(=O)Nc3c(Cl)cncc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F |
InChI | InChI | 1.03 | InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) |
InChIKey | InChI | 1.03 | MNDBXUUTURYVHR-UHFFFAOYSA-N |