A1AIU
Summary
| Name: | 1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one |
| Formula: | C15 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 264.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(4-phenylphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cc1n[NH]nn1)c1ccc(cc1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H12N4O/c20-14(10-15-16-18-19-17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,18,19) |
| InChIKey | InChI | 1.06 | DBJJJEXQJNIRIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1n[nH]nn1)c2ccc(cc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C(Cc1n[nH]nn1)c2ccc(cc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C(=O)Cc3n[nH]nn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C(=O)Cc3n[nH]nn3 |
