AWD
Summary
| Name: | ~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide |
| Formula: | C12 H16 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 237.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17) |
| InChIKey | InChI | 1.03 | MDBPFVSVLGYVCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)Nc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)Nc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)Nc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)Nc2ccc(cc2)F |
