Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c3cnc1cc(ccc1c3Nc2ccccc2C(C)(C)C)c4c(onc4C)C |
InChI | InChI | 1.03 | InChI=1S/C25H25N3O3/c1-14-22(15(2)31-28-14)16-10-11-17-21(12-16)26-13-18(24(29)30)23(17)27-20-9-7-6-8-19(20)25(3,4)5/h6-13H,1-5H3,(H,26,27)(H,29,30) |
InChIKey | InChI | 1.03 | OWUQUQCSBQATFQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(cnc3c2)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(cnc3c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O |