A1L3C
Summary
| Name: | ~{N}-[7-[bis(fluoranyl)methoxy]-1-prop-2-ynyl-indazol-3-yl]-3,3-dimethyl-butanamide |
| Formula: | C17 H19 F2 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 335.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[7-[bis(fluoranyl)methoxy]-1-prop-2-ynyl-indazol-3-yl]-3,3-dimethyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19F2N3O2/c1-5-9-22-14-11(7-6-8-12(14)24-16(18)19)15(21-22)20-13(23)10-17(2,3)4/h1,6-8,16H,9-10H2,2-4H3,(H,20,21,23) |
| InChIKey | InChI | 1.06 | GKEXCIJSZUBAKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CC(=O)Nc1nn(CC#C)c2c(OC(F)F)cccc12 |
| SMILES | CACTVS | 3.385 | CC(C)(C)CC(=O)Nc1nn(CC#C)c2c(OC(F)F)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CC(=O)Nc1c2cccc(c2n(n1)CC#C)OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CC(=O)Nc1c2cccc(c2n(n1)CC#C)OC(F)F |
