Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c5c(cc(n1)NCc2cccc(c2)Oc3ccccc3)c4ccccc4n5 |
InChI | InChI | 1.03 | InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26) |
InChIKey | InChI | 1.03 | DMCDUELFWCRWHE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C(Nc1cc2c([nH]c3ccccc23)cn1)c4cccc(Oc5ccccc5)c4 |
SMILES | CACTVS | 3.385 | C(Nc1cc2c([nH]c3ccccc23)cn1)c4cccc(Oc5ccccc5)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3 |