Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4c(c1ccc2c(c1)ccc(OC)c2)c(c3ccncc3)nc4 |
InChI | InChI | 1.03 | InChI=1S/C19H15N3O/c1-23-17-5-4-14-10-16(3-2-15(14)11-17)19-18(21-12-22-19)13-6-8-20-9-7-13/h2-12H,1H3,(H,21,22) |
InChIKey | InChI | 1.03 | DXOWEAIMGARAMG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)c3nc[nH]c3c4ccncc4 |
SMILES | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)c3nc[nH]c3c4ccncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4 |