A1JJQ
Summary
| Name: | ~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]prop-2-enamide |
| Formula: | C18 H16 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 309.338 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]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H16FN3O/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/h3-10H,1,11H2,2H3,(H,20,21,23) |
| InChIKey | InChI | 1.06 | GYEFUDDVJWTYEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2c(NC(=O)C=C)nn(Cc3ccc(F)cc3)c12 |
| SMILES | CACTVS | 3.385 | Cc1cccc2c(NC(=O)C=C)nn(Cc3ccc(F)cc3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1n(nc2NC(=O)C=C)Cc3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1n(nc2NC(=O)C=C)Cc3ccc(cc3)F |
