VOF
Summary
| Name: | (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone |
| Formula: | C10 H8 F2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 224.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H8F2N3O/c11-10(15-7-14(12)6-13-15)9(16)8-4-2-1-3-5-8/h1-7,10H/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | RVNIFDQWHFAHJY-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | F[C@@H](n1c[n](F)cn1)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | F[CH](n1c[n](F)cn1)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)[C@H](N2C=[N](C=N2)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)C(N2C=[N](C=N2)F)F |
