Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H24FN7O2/c1-2-38-19-10-11-23(32-16-19)27-35-34-26(36(27)24-9-4-3-7-21(24)29)17-14-18(15-17)33-28(37)20-6-5-8-22-25(20)31-13-12-30-22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18- |
InChIKey | InChI | 1.03 | ARCOJIXZDJYBCH-IYARVYRRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([C@@H]3C[C@H](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F |
SMILES | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6 |