Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C3=CN=C(N(C3=O)C)Cc4ccccc4)c5 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2nccc(Oc3ccc(cc3F)C4=CN=C(Cc5ccccc5)N(C)C4=O)c2cc1OC |
SMILES | CACTVS | 3.341 | COc1cc2nccc(Oc3ccc(cc3F)C4=CN=C(Cc5ccccc5)N(C)C4=O)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C29H24FN3O4/c1-33-28(13-18-7-5-4-6-8-18)32-17-21(29(33)34)19-9-10-25(22(30)14-19)37-24-11-12-31-23-16-27(36-3)26(35-2)15-20(23)24/h4-12,14-17H,13H2,1-3H3 |
InChIKey | InChI | 1.03 | IKPJWGNTDNCFPS-UHFFFAOYSA-N |