Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)c2ccc(cc2)c3c5c(nn3)c4cc(ccc4C5)CO |
InChI | InChI | 1.03 | InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25) |
InChIKey | InChI | 1.03 | BERKODPQGRAHDD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OCc1ccc2Cc3c([nH]nc3c2c1)c4ccc(cc4)c5ccc(O)cc5 |
SMILES | CACTVS | 3.370 | OCc1ccc2Cc3c([nH]nc3c2c1)c4ccc(cc4)c5ccc(O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO |