Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H17ClFN3O3/c1-22-19(25)12-9-23-15-8-17(27-3)16(26-2)7-11(15)18(12)24-14-5-4-10(20)6-13(14)21/h4-9H,1-3H3,(H,22,25)(H,23,24) |
InChIKey | InChI | 1.03 | MXBCVSLLTIRSIL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc(Cl)cc3F |
SMILES | CACTVS | 3.385 | CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc(Cl)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC |