IUJ
Summary
| Name: | 4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide |
| Formula: | C18 H19 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 298.355 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(22)20-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22) |
| InChIKey | InChI | 1.06 | UPSQQXZUKXWTKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCCC3 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNC(=O)c2ccc(cc2)F)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNC(=O)c2ccc(cc2)F)N3CCCC3 |
