A1JZT
Summary
| Name: | 4-[4-[(4-butyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzaldehyde |
| Formula: | C20 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 351.399 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]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H21N3O3/c1-2-3-4-17-13-23(22-21-17)12-16-7-10-20(19(25)11-16)26-18-8-5-15(14-24)6-9-18/h5-11,13-14,25H,2-4,12H2,1H3 |
| InChIKey | InChI | 1.06 | JJBPSUVHWRZQMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1cn(Cc2ccc(Oc3ccc(C=O)cc3)c(O)c2)nn1 |
| SMILES | CACTVS | 3.385 | CCCCc1cn(Cc2ccc(Oc3ccc(C=O)cc3)c(O)c2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3)C=O |
