ELQ
Summary
| Name: | [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone |
| Formula: | C12 H14 F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 240.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3 |
| InChIKey | InChI | 1.03 | ZCPNSVBDWJVJSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F |
