BZ6
Summary
| Name: | 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole |
| Formula: | C20 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 330.383 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4O/c1-25-19-9-7-16(8-10-19)20-17(13-23-12-11-21-15-23)14-24(22-20)18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3 |
| InChIKey | InChI | 1.03 | CZOCKHTYPCJURT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4 |
