VKL
Summary
| Name: | 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene |
| Formula: | C12 H12 F2 N4 |
| Formal charge: | 2 |
| Formula weight: | 250.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[3,4-bis(fluoranyl)phenyl]-1-methyl-7,8-dihydro-6~{H}-imidazo[2,1-c][1,2,4]triazine-1,5-diium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11F2N4/c1-17-12-15-4-5-18(12)7-11(16-17)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3/q+1/p+1 |
| InChIKey | InChI | 1.06 | LPONEBABNALWCF-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[n+]1nc(c[n+]2CCNc12)c3ccc(F)c(F)c3 |
| SMILES | CACTVS | 3.385 | C[n+]1nc(c[n+]2CCNc12)c3ccc(F)c(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[n+]1c2[n+](cc(n1)c3ccc(c(c3)F)F)CCN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[n+]1c2[n+](cc(n1)c3ccc(c(c3)F)F)CCN2 |
