Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2(cc(c1ccccc1)nn2)Cc3ccc(c(c3)O)Oc4ccccc4C |
InChI | InChI | 1.03 | InChI=1S/C22H19N3O2/c1-16-7-5-6-10-21(16)27-22-12-11-17(13-20(22)26)14-25-15-19(23-24-25)18-8-3-2-4-9-18/h2-13,15,26H,14H2,1H3 |
InChIKey | InChI | 1.03 | RXXUNJCEEGMOQJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1Oc2ccc(Cn3cc(nn3)c4ccccc4)cc2O |
SMILES | CACTVS | 3.385 | Cc1ccccc1Oc2ccc(Cn3cc(nn3)c4ccccc4)cc2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4 |