Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1cc(c(O)cc1)C(=O)NCc1ccc2ncccc2c1 |
InChI | InChI | 1.06 | InChI=1S/C17H13BrN2O2/c18-13-4-6-16(21)14(9-13)17(22)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,21H,10H2,(H,20,22) |
InChIKey | InChI | 1.06 | YSZSLARXPSZHMQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Br)cc1C(=O)NCc2ccc3ncccc3c2 |
SMILES | CACTVS | 3.385 | Oc1ccc(Br)cc1C(=O)NCc2ccc3ncccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(ccc2nc1)CNC(=O)c3cc(ccc3O)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(ccc2nc1)CNC(=O)c3cc(ccc3O)Br |