A1JF2
Summary
| Name: | 3-[[[(2~{R})-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethyl]amino]methyl]quinolin-2-ol |
| Formula: | C18 H16 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 330.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[[(2~{R})-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethyl]amino]methyl]quinolin-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H16F2N2O2/c19-13-5-6-14(15(20)8-13)17(23)10-21-9-12-7-11-3-1-2-4-16(11)22-18(12)24/h1-8,17,21,23H,9-10H2,(H,22,24)/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | POJLSDJIUXVBDQ-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CNCc1cc2ccccc2nc1O)c3ccc(F)cc3F |
| SMILES | CACTVS | 3.385 | O[CH](CNCc1cc2ccccc2nc1O)c3ccc(F)cc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(c(n2)O)CNC[C@@H](c3ccc(cc3F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(c(n2)O)CNCC(c3ccc(cc3F)F)O |
