9JQ
Summary
| Name: | 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol |
| Formula: | C18 H14 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 328.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H14F2N2O2/c1-22(11-8-9-13(19)16(24)10-11)17-7-3-5-14(21-17)12-4-2-6-15(23)18(12)20/h2-10,23-24H,1H3 |
| InChIKey | InChI | 1.03 | TZILIAOKSRIZHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(c1ccc(F)c(O)c1)c2cccc(n2)c3cccc(O)c3F |
| SMILES | CACTVS | 3.385 | CN(c1ccc(F)c(O)c1)c2cccc(n2)c3cccc(O)c3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O |
