Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)n3cc(c2C(=O)NC=Nc23)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C18H12BrN3O/c19-13-6-8-14(9-7-13)22-10-15(12-4-2-1-3-5-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23) |
InChIKey | InChI | 1.03 | PNDQJUVRRFIFTM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24 |
SMILES | CACTVS | 3.385 | Brc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br |