Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=CC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C28H37F2N11O4/c1-3-20(42)38-6-4-18(5-7-38)25(44)37(2)17-21(43)39-8-10-40(11-9-39)27-34-24(19-16-32-26(31)33-22(19)23(29)30)35-28(36-27)41-12-14-45-15-13-41/h3,16,18,23H,1,4-15,17H2,2H3,(H2,31,32,33) |
InChIKey | InChI | 1.03 | DQXALALSPTWDRV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)c3cnc(N)nc3C(F)F)N4CCOCC4)C(=O)C5CCN(CC5)C(=O)C=C |
SMILES | CACTVS | 3.385 | CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)c3cnc(N)nc3C(F)F)N4CCOCC4)C(=O)C5CCN(CC5)C(=O)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C |