A1IWE
Summary
| Name: | 1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one |
| Formula: | C16 H22 Br N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 368.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]ethanoyl]piperazin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H22BrN3O2/c1-3-15(21)19-6-8-20(9-7-19)16(22)11-18-14-5-4-13(17)10-12(14)2/h4-5,10,18H,3,6-9,11H2,1-2H3 |
| InChIKey | InChI | 1.06 | PHVHIYQQMVEZAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCN(CC1)C(=O)CNc2ccc(Br)cc2C |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCN(CC1)C(=O)CNc2ccc(Br)cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCN(CC1)C(=O)CNc2ccc(cc2C)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCN(CC1)C(=O)CNc2ccc(cc2C)Br |
