Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H19N5O/c1-26-16-4-2-3-14(10-16)18-11-19(25-20(21)24-18)23-12-13-5-6-17-15(9-13)7-8-22-17/h2-11,22H,12H2,1H3,(H3,21,23,24,25) |
InChIKey | InChI | 1.06 | DOZCEYNDPGHGAV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2 |
SMILES | CACTVS | 3.385 | COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)cc[nH]4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)cc[nH]4 |