Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc1cccc(c1)NC(=O)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)Nc4cccc(c4)C#N |
SMILES | CACTVS | 3.341 | Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)Nc4cccc(c4)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C |
InChI | InChI | 1.03 | InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29) |
InChIKey | InChI | 1.03 | PMMLSQFPBFKLHH-UHFFFAOYSA-N |