| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#Cc1ccc(C2C(O)CCCc3cncn32)c(c1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C21H19N3O/c22-12-15-9-10-18(19(11-15)16-5-2-1-3-6-16)21-20(25)8-4-7-17-13-23-14-24(17)21/h1-3,5-6,9-11,13-14,20-21,25H,4,7-8H2/t20-,21-/m0/s1 |
| InChIKey | InChI | 1.06 | YJXOYLFTOJVXJZ-SFTDATJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCCc2cncn2[C@H]1c3ccc(cc3c4ccccc4)C#N |
| SMILES | CACTVS | 3.385 | O[CH]1CCCc2cncn2[CH]1c3ccc(cc3c4ccccc4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2cc(ccc2C3C(CCCc4n3cnc4)O)C#N |
