224
Summary
| Name: | 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE |
| Synonyms: | 2-[2-(4-CHLOROPHENYL)ETHYL]-2-[(1H-IMIDAZOL-1-YL)METHYL]-1,3-DIOXOLANE |
| Formula: | C15 H17 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.761 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1H-imidazole |
| OpenEye OEToolkits | 1.5.0 | 1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)CCC2(OCCO2)Cn3ccnc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1 |
| SMILES | CACTVS | 3.341 | Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 |
| InChIKey | InChI | 1.03 | NPIOYRIZNLPLDH-UHFFFAOYSA-N |
