Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(CNc2ncccc2c2ncc[NH]2)c(O)c1 |
InChI | InChI | 1.06 | InChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19) |
InChIKey | InChI | 1.06 | MFPPUJHTLAJSCS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3[nH]ccn3 |
SMILES | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3[nH]ccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCc2ccc(cc2O)F)c3[nH]ccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCc2ccc(cc2O)F)c3[nH]ccn3 |