Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N |
InChI | InChI | 1.03 | InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17) |
InChIKey | InChI | 1.03 | KOUGHMOSYJCJLE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | NC(=O)c1cccc2[nH]c(nc12)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N |