JG2
Summary
| Name: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol |
| Synonyms: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, bound form |
| Formula: | C20 H23 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 353.415 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol |
| OpenEye OEToolkits | 1.7.2 | 7-phenyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)heptane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c(c1nnc(o1)C(O)(O)CCCCCCc2ccccc2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H23N3O3/c24-20(25,14-8-2-1-4-10-16-11-5-3-6-12-16)19-23-22-18(26-19)17-13-7-9-15-21-17/h3,5-7,9,11-13,15,24-25H,1-2,4,8,10,14H2 |
| InChIKey | InChI | 1.03 | KSJFCWCEVWDLIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(O)(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3 |
| SMILES | CACTVS | 3.370 | OC(O)(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O |
