| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(cn1)c1ccnc2c1cccc2NCc1ccc(OC(C)C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C25H22N4O/c1-17(2)30-21-10-6-18(7-11-21)15-29-24-5-3-4-23-22(12-13-27-25(23)24)19-8-9-20(14-26)28-16-19/h3-13,16-17,29H,15H2,1-2H3 |
| InChIKey | InChI | 1.06 | XKGFZUSEGLYHKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(CNc2cccc3c(ccnc23)c4ccc(nc4)C#N)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(CNc2cccc3c(ccnc23)c4ccc(nc4)C#N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(cc1)CNc2cccc3c2nccc3c4ccc(nc4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(cc1)CNc2cccc3c2nccc3c4ccc(nc4)C#N |
