A1E7E
Summary
| Name: | ~{N}-(7-cyclopropyl-1-prop-2-ynyl-indazol-3-yl)-4-fluoranyl-benzamide |
| Formula: | C20 H16 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 333.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(7-cyclopropyl-1-prop-2-ynyl-indazol-3-yl)-4-fluoranyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H16FN3O/c1-2-12-24-18-16(13-6-7-13)4-3-5-17(18)19(23-24)22-20(25)14-8-10-15(21)11-9-14/h1,3-5,8-11,13H,6-7,12H2,(H,22,23,25) |
| InChIKey | InChI | 1.06 | AERBNZCRDPIGNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)Nc2nn(CC#C)c3c(cccc23)C4CC4 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)Nc2nn(CC#C)c3c(cccc23)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCn1c2c(cccc2C3CC3)c(n1)NC(=O)c4ccc(cc4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCn1c2c(cccc2C3CC3)c(n1)NC(=O)c4ccc(cc4)F |
