9KE
Summary
| Name: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one |
| Formula: | C17 H21 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 332.828 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21ClN4O/c18-16-4-2-15(3-5-16)12-22-11-10-20(13-17(22)23)7-1-8-21-9-6-19-14-21/h2-6,9,14H,1,7-8,10-13H2 |
| InChIKey | InChI | 1.03 | UHJVZFXZSLURRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2CCN(CCCn3ccnc3)CC2=O)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CN2CCN(CCCn3ccnc3)CC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl |
