Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24) |
InChIKey | InChI | 1.03 | IQBHNQCIUDQGPV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(Nc2cc(c3cccc(C)c3)c4c([nH]cc4C#N)n2)n1 |
SMILES | CACTVS | 3.385 | Cn1ccc(Nc2cc(c3cccc(C)c3)c4c([nH]cc4C#N)n2)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C |