Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(O)c1cc(nc(c2ccc(F)cc2)c1F)C(O)(CNC(=O)c1cc2cc(C)nnc2c(c1)OC)C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C28H25F5N4O4/c1-14-9-16-10-17(11-20(41-4)23(16)37-36-14)25(38)34-13-27(40,28(31,32)33)21-12-19(26(2,3)39)22(30)24(35-21)15-5-7-18(29)8-6-15/h5-12,39-40H,13H2,1-4H3,(H,34,38)/t27-/m0/s1 |
InChIKey | InChI | 1.06 | XMOSIGSMKGYOBC-MHZLTWQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc2cc(C)nnc12)C(=O)NC[C@](O)(c3cc(c(F)c(n3)c4ccc(F)cc4)C(C)(C)O)C(F)(F)F |
SMILES | CACTVS | 3.385 | COc1cc(cc2cc(C)nnc12)C(=O)NC[C](O)(c3cc(c(F)c(n3)c4ccc(F)cc4)C(C)(C)O)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2cc(cc(c2nn1)OC)C(=O)NC[C@](c3cc(c(c(n3)c4ccc(cc4)F)F)C(C)(C)O)(C(F)(F)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2cc(cc(c2nn1)OC)C(=O)NCC(c3cc(c(c(n3)c4ccc(cc4)F)F)C(C)(C)O)(C(F)(F)F)O |