A1EP3
Summary
| Name: | (5~{S})-8-bromanyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol |
| Formula: | C17 H18 Br N O |
| Formal charge: | 0 |
| Formula weight: | 332.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-8-bromanyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | XFTVOHWWEQGXLS-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCc2cc(Br)c(O)cc2[C@@H](C1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CN1CCc2cc(Br)c(O)cc2[CH](C1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(cc2[C@@H](C1)c3ccccc3)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(cc2C(C1)c3ccccc3)O)Br |
