Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(ccc1C(Nc3nnc(c2ccc(cc2)C#C)o3)=O)N |
InChI | InChI | 1.03 | InChI=1S/C17H12N4O2/c1-2-11-3-5-13(6-4-11)16-20-21-17(23-16)19-15(22)12-7-9-14(18)10-8-12/h1,3-10H,18H2,(H,19,21,22) |
InChIKey | InChI | 1.03 | FIEDYLNUYGEAJG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)Nc2oc(nn2)c3ccc(cc3)C#C |
SMILES | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)Nc2oc(nn2)c3ccc(cc3)C#C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N |
SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N |