Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H16N2O3/c1-2-17-10-12-18(13-11-17)14-15-23-26-22-9-4-3-8-21(22)24(28)27(23)20-7-5-6-19(16-20)25(29)30/h1,3-16H,(H,29,30)/b15-14+ |
InChIKey | InChI | 1.03 | WFDJIIYWQKNANN-CCEZHUSRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2\C=C\c4ccc(cc4)C#C |
SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2C=Cc4ccc(cc4)C#C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C#Cc1ccc(cc1)C=CC2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O |