A1JZS
Summary
| Name: | 4-[4-[(4-butyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]-3-fluoranyl-benzaldehyde |
| Formula: | C20 H20 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 369.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-[(4-butyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]-3-fluoranyl-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20FN3O3/c1-2-3-4-16-12-24(23-22-16)11-14-5-8-20(18(26)10-14)27-19-7-6-15(13-25)9-17(19)21/h5-10,12-13,26H,2-4,11H2,1H3 |
| InChIKey | InChI | 1.06 | SLLCHZPQDCHDLG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1cn(Cc2ccc(Oc3ccc(C=O)cc3F)c(O)c2)nn1 |
| SMILES | CACTVS | 3.385 | CCCCc1cn(Cc2ccc(Oc3ccc(C=O)cc3F)c(O)c2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3F)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3F)C=O |
