SZU
Summary
| Name: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide |
| Formula: | C21 H21 F N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 408.429 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27) |
| InChIKey | InChI | 1.06 | KNYVRFXIVWUGBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccnc1CNC(=O)c2coc(CCNCCc3[nH]c4ccccc4n3)n2 |
| SMILES | CACTVS | 3.385 | Fc1cccnc1CNC(=O)c2coc(CCNCCc3[nH]c4ccccc4n3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CCNCCc3nc(co3)C(=O)NCc4c(cccn4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CCNCCc3nc(co3)C(=O)NCc4c(cccn4)F |
