Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(cc1)CNc2ncc(cc2)Cc4c3cc(OC)cnc3nc4 |
InChI | InChI | 1.03 | InChI=1S/C22H19F3N4O/c1-30-18-9-19-16(12-28-21(19)29-13-18)8-15-4-7-20(27-11-15)26-10-14-2-5-17(6-3-14)22(23,24)25/h2-7,9,11-13H,8,10H2,1H3,(H,26,27)(H,28,29) |
InChIKey | InChI | 1.03 | WLYQGNIWNGFGPH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(cc4)C(F)(F)F)nc3)c2c1 |
SMILES | CACTVS | 3.370 | COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(cc4)C(F)(F)F)nc3)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F |