A1L3D
Summary
| Name: | ~{N}-[7-[bis(fluoranyl)methoxy]-1-prop-2-ynyl-indazol-3-yl]-2-propyl-pentanamide |
| Formula: | C19 H23 F2 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 363.402 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]-2-propyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23F2N3O2/c1-4-8-13(9-5-2)18(25)22-17-14-10-7-11-15(26-19(20)21)16(14)24(23-17)12-6-3/h3,7,10-11,13,19H,4-5,8-9,12H2,1-2H3,(H,22,23,25) |
| InChIKey | InChI | 1.06 | LDQBXERCNCIKDE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(CCC)C(=O)Nc1nn(CC#C)c2c(OC(F)F)cccc12 |
| SMILES | CACTVS | 3.385 | CCCC(CCC)C(=O)Nc1nn(CC#C)c2c(OC(F)F)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(CCC)C(=O)Nc1c2cccc(c2n(n1)CC#C)OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(CCC)C(=O)Nc1c2cccc(c2n(n1)CC#C)OC(F)F |
