Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c(Nc2ccc(N1CCN(C)CC1)cc2OC)ncc4c3N(C)c5ccccc5C(N4CC(F)(F)F)=O |
InChI | InChI | 1.03 | InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32) |
InChIKey | InChI | 1.03 | OQFCHSFVWSLDAO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1Nc2ncc3N(CC(F)(F)F)C(=O)c4ccccc4N(C)c3n2)N5CCN(C)CC5 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1Nc2ncc3N(CC(F)(F)F)C(=O)c4ccccc4N(C)c3n2)N5CCN(C)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C |