JDL
Summary
| Name: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine |
| Formula: | C11 H12 F N3 |
| Formal charge: | 0 |
| Formula weight: | 205.231 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12FN3/c1-14-6-8-5-9(12)4-7-2-3-15(10(7)8)11(14)13/h4-5,13H,2-3,6H2,1H3/b13-11- |
| InChIKey | InChI | 1.03 | FHPIUPDPCMWKJY-QBFSEMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1Cc2cc(F)cc3CCN(C1=N)c23 |
| SMILES | CACTVS | 3.385 | CN1Cc2cc(F)cc3CCN(C1=N)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/N(Cc2cc(cc3c2N1CC3)F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1Cc2cc(cc3c2N(C1=N)CC3)F |
