| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC=4C(C)C3CCc1c(nn(c1c2cccnc2)C)C3(C)CC=4C#N |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4O/c1-12-16-7-6-15-17(13-5-4-8-22-11-13)24(3)23-19(15)20(16,2)9-14(10-21)18(12)25/h4-5,8,11-12,16,25H,6-7,9H2,1-3H3/t12-,16-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | IQRJTLOGKWCNQB-APXLUKDGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1[C@@H]2CCc3c(nn(C)c3c4cccnc4)[C@@]2(C)CC(=C1O)C#N |
| SMILES | CACTVS | 3.385 | C[CH]1[CH]2CCc3c(nn(C)c3c4cccnc4)[C]2(C)CC(=C1O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1C2CCc3c(n(nc3C2(CC(=C1O)C#N)C)C)c4cccnc4 |
