| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18BrNO/c21-16-8-9-17-15(12-22-19(17)11-16)10-14-6-3-5-13-4-1-2-7-18(13)20(14)23/h1-2,4,7-9,11-12,14,22H,3,5-6,10H2/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | UKUKRDMWVWUMNY-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc2c(C[C@H]3CCCc4ccccc4C3=O)c[nH]c2c1 |
| SMILES | CACTVS | 3.385 | Brc1ccc2c(C[CH]3CCCc4ccccc4C3=O)c[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCC(C2=O)Cc3c[nH]c4c3ccc(c4)Br |
