Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc2ccccc2)cc3CC4)cccc5 |
SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]([C@H]1CCc2cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5 |
SMILES | CACTVS | 3.370 | O[CH]([CH]1CCc2cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Oc2ccc3c(c2)CCC(C3)C(c4ncc(o4)c5ccccn5)O |
InChI | InChI | 1.03 | InChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1 |
InChIKey | InChI | 1.03 | HNDDBEODXBNDLJ-CYFREDJKSA-N |