Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c5c(ccc1)C(=O)N(c2ccc(cc2)OC)C(CCN4C(=O)c3cccc(c3C4=O)OC(C)C)=N5 |
InChI | InChI | 1.03 | InChI=1S/C28H25N3O5/c1-17(2)36-23-10-6-8-21-25(23)28(34)30(26(21)32)16-15-24-29-22-9-5-4-7-20(22)27(33)31(24)18-11-13-19(35-3)14-12-18/h4-14,17H,15-16H2,1-3H3 |
InChIKey | InChI | 1.03 | UUAAHYNWZKQZBM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N2C(=Nc3ccccc3C2=O)CCN4C(=O)c5cccc(OC(C)C)c5C4=O |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)N2C(=Nc3ccccc3C2=O)CCN4C(=O)c5cccc(OC(C)C)c5C4=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC |