Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3 |
InChI | InChI | 1.03 | InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | TZXWJHVVESOPPE-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1c(Cl)cnc2ccc(cc12)c3cnc(nc3)C(C)(C)O)c4ccccc4F |
SMILES | CACTVS | 3.385 | C[CH](Nc1c(Cl)cnc2ccc(cc12)c3cnc(nc3)C(C)(C)O)c4ccccc4F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O |