Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4 |
InChI | InChI | 1.03 | InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23) |
InChIKey | InChI | 1.03 | KPDQHNUZQHJLSJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | Oc1cccc(c1)c2[nH]c(nc2c3ccncc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O |