Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H23F4N7O3/c25-15-1-3-16(4-2-15)35-22-17(12-30-35)23(37)33(14-29-22)13-24(38)6-9-32(10-7-24)20(36)11-18(21(27)28)34-8-5-19(26)31-34/h1-5,8,12,14,18,21,38H,6-7,9-11,13H2/t18-/m0/s1 |
InChIKey | InChI | 1.03 | BLSNYSFLZAWBIV-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1(CCN(CC1)C(=O)C[C@@H](C(F)F)n2ccc(F)n2)CN3C=Nc4n(ncc4C3=O)c5ccc(F)cc5 |
SMILES | CACTVS | 3.385 | OC1(CCN(CC1)C(=O)C[CH](C(F)F)n2ccc(F)n2)CN3C=Nc4n(ncc4C3=O)c5ccc(F)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C(F)F)n5ccc(n5)F)O)F |