QX8
Summary
| Name: | 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one |
| Formula: | C21 H24 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 414.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H24BrN3O/c22-19-6-4-17(5-7-19)15-23-10-12-24(13-11-23)16-18-2-1-3-20(14-18)25-9-8-21(25)26/h1-7,14H,8-13,15-16H2 |
| InChIKey | InChI | 1.03 | UKZMZNGKMQQUCK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(CN2CCN(CC2)Cc3cccc(c3)N4CCC4=O)cc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(CN2CCN(CC2)Cc3cccc(c3)N4CCC4=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br |
