6SQ
Summary
| Name: | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone |
| Formula: | C20 H20 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 341.831 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H20ClNO2/c1-14(23)15-5-7-19(8-6-15)22-11-9-16(10-12-22)20(24)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12H2,1H3 |
| InChIKey | InChI | 1.03 | LWMBRHVWMVSCBD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl |
