Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][n+]1cccc(c1)CNc2cc(nc3c(Br)cnn23)c4ccccc4C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1c2cc(NCc3ccc[n+]([O-])c3)n4ncc(Br)c4n2 |
SMILES | CACTVS | 3.341 | Cc1ccccc1c2cc(NCc3ccc[n+]([O-])c3)n4ncc(Br)c4n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-] |
InChI | InChI | 1.03 | InChI=1S/C19H16BrN5O/c1-13-5-2-3-7-15(13)17-9-18(25-19(23-17)16(20)11-22-25)21-10-14-6-4-8-24(26)12-14/h2-9,11-12,21H,10H2,1H3 |
InChIKey | InChI | 1.03 | DXUJQXZHHGJMFM-UHFFFAOYSA-N |