Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(31-16-19)27-35-34-26(36(27)25-8-4-3-6-20(25)29)17-14-18(15-17)32-28(37)24-12-11-21-22(33-24)7-5-13-30-21/h3-13,16-18H,2,14-15H2,1H3,(H,32,37)/t17-,18- |
InChIKey | InChI | 1.03 | UWERITXAJHSFJS-IYARVYRRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([C@H]3C[C@@H](C3)NC(=O)c4ccc5ncccc5n4)n2c6ccccc6F |
SMILES | CACTVS | 3.385 | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccc5ncccc5n4)n2c6ccccc6F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6 |