YE5
Summary
| Name: | 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone |
| Formula: | C17 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 308.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O2/c1-3-23-16-8-7-12(11(2)22)10-15(16)13-5-4-6-14(9-13)17-18-20-21-19-17/h4-10H,3H2,1-2H3,(H,18,19,20,21) |
| InChIKey | InChI | 1.03 | XRDCFDYQIVETFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(C)=O |
| SMILES | CACTVS | 3.385 | CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C |
