Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO |
SMILES_CANONICAL | CACTVS | 3.341 | OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12 |
SMILES | CACTVS | 3.341 | OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO |
InChI | InChI | 1.03 | InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23) |
InChIKey | InChI | 1.03 | UQHINZSKNAAVOZ-UHFFFAOYSA-N |