Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21 |
InChI | InChI | 1.06 | InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | VPVQGEOZXDRIEP-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2cncc(NC(=O)[C@@H]3CCOc4cc(F)c(Cl)cc34)c2c1 |
SMILES | CACTVS | 3.385 | Fc1ccc2cncc(NC(=O)[CH]3CCOc4cc(F)c(Cl)cc34)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(c(c4)F)Cl |