Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c6cc1c(nc(n1)Nc5c2ccccc2c(Oc4ncccc4c3nc(ncc3)NC)cc5)cc6 |
SMILES_CANONICAL | CACTVS | 3.341 | CNc1nccc(n1)c2cccnc2Oc3ccc(Nc4[nH]c5cc(ccc5n4)C(F)(F)F)c6ccccc36 |
SMILES | CACTVS | 3.341 | CNc1nccc(n1)c2cccnc2Oc3ccc(Nc4[nH]c5cc(ccc5n4)C(F)(F)F)c6ccccc36 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C28H20F3N7O/c1-32-26-34-14-12-21(35-26)19-7-4-13-33-25(19)39-24-11-10-20(17-5-2-3-6-18(17)24)36-27-37-22-9-8-16(28(29,30)31)15-23(22)38-27/h2-15H,1H3,(H,32,34,35)(H2,36,37,38) |
InChIKey | InChI | 1.03 | VIHXUAKPZPXVSW-UHFFFAOYSA-N |