Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H19FN4O3/c1-13(28)19-10-17(20-9-15(30-3)7-8-27(19)20)22(29)25-18-6-4-5-16(21(18)23)14-11-24-26(2)12-14/h4-12H,1-3H3,(H,25,29) |
InChIKey | InChI | 1.03 | KERKYEVISFXSSG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccn2c(cc(C(=O)Nc3cccc(c3F)c4cnn(C)c4)c2c1)C(C)=O |
SMILES | CACTVS | 3.385 | COc1ccn2c(cc(C(=O)Nc3cccc(c3F)c4cnn(C)c4)c2c1)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1ccc(c2)OC)C(=O)Nc3cccc(c3F)c4cnn(c4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc(c2n1ccc(c2)OC)C(=O)Nc3cccc(c3F)c4cnn(c4)C |