A1JY9
Summary
| Name: | 4-(4-((4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl)-2-hydroxyphenoxy)benzaldehyde |
| Synonyms: | 4-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzaldehyde |
| Formula: | C19 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 335.357 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]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H17N3O3/c23-12-13-1-6-16(7-2-13)25-19-8-3-14(9-18(19)24)10-22-11-17(20-21-22)15-4-5-15/h1-3,6-9,11-12,15,24H,4-5,10H2 |
| InChIKey | InChI | 1.06 | IRZDPSSSBQRDIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccc(C=O)cc4 |
| SMILES | CACTVS | 3.385 | Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccc(C=O)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
