B5N
Summary
| Name: | [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone |
| Formula: | C19 H21 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 312.381 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3 |
| InChIKey | InChI | 1.03 | UONQPTDUVPPQHY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F |
