A1JJ8
Summary
| Name: | ~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide |
| Formula: | C18 H18 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 311.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18FN3O/c1-3-16(23)20-18-15-6-4-5-12(2)17(15)22(21-18)11-13-7-9-14(19)10-8-13/h4-10H,3,11H2,1-2H3,(H,20,21,23) |
| InChIKey | InChI | 1.06 | AFOUNTVOEGAGCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1nn(Cc2ccc(F)cc2)c3c(C)cccc13 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1nn(Cc2ccc(F)cc2)c3c(C)cccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1c2cccc(c2n(n1)Cc3ccc(cc3)F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1c2cccc(c2n(n1)Cc3ccc(cc3)F)C |
