A1EEX
Summary
| Name: | ~{N}-[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]-2-fluoranyl-6-(propanoylamino)benzamide |
| Formula: | C24 H20 Cl2 F N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 516.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]-2-fluoranyl-6-(propanoylamino)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H20Cl2FN5O3/c1-3-20(33)29-19-6-4-5-17(27)22(19)24(34)30-23-14-9-13(7-8-18(14)31-32-23)35-12(2)21-15(25)10-28-11-16(21)26/h4-12H,3H2,1-2H3,(H,29,33)(H2,30,31,32,34)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | XSIAONNAGZYCCU-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cccc(F)c1C(=O)Nc2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccc(F)c1C(=O)Nc2n[nH]c3ccc(O[CH](C)c4c(Cl)cncc4Cl)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cccc(c1C(=O)Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cccc(c1C(=O)Nc2c3cc(ccc3[nH]n2)OC(C)c4c(cncc4Cl)Cl)F |
