MQ2
Summary
| Name: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide |
| Formula: | C25 H32 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 486.444 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H32BrN3O2/c1-3-25(4-2,19-30)24(31)27-23-7-5-6-21(16-23)18-29-14-12-28(13-15-29)17-20-8-10-22(26)11-9-20/h5-11,16,19H,3-4,12-15,17-18H2,1-2H3,(H,27,31) |
| InChIKey | InChI | 1.03 | LULPAFAMHVUJQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3ccc(Br)cc3)c1 |
| SMILES | CACTVS | 3.385 | CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3ccc(Br)cc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br |
