RQH
Summary
| Name: | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one |
| Synonyms: | Climbazole |
| Formula: | C15 H17 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.761 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | OWEGWHBOCFMBLP-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n2ccnc2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)[CH](Oc1ccc(Cl)cc1)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl |
