A1JZB
Summary
| Name: | 4-(4-((4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl)-2-hydroxyphenoxy)-3-fluorobenzaldehyde |
| Synonyms: | 4-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]-3-fluoranyl-benzaldehyde |
| Formula: | C19 H16 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 353.347 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-[(4-cyclopropyl-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/C19H16FN3O3/c20-15-7-13(11-24)2-5-18(15)26-19-6-1-12(8-17(19)25)9-23-10-16(21-22-23)14-3-4-14/h1-2,5-8,10-11,14,25H,3-4,9H2 |
| InChIKey | InChI | 1.06 | WGCIQZZIMBEAJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccc(C=O)cc4F |
| SMILES | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccc(C=O)cc4F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cn2cc(nn2)C3CC3)O)Oc4ccc(cc4F)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cn2cc(nn2)C3CC3)O)Oc4ccc(cc4F)C=O |
