Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)COc1c2c(ccc1OC)ccc(c2)C(=[N@H])N |
InChI | InChI | 1.03 | InChI=1S/C14H15N3O3/c1-19-11-5-4-8-2-3-9(14(16)17)6-10(8)13(11)20-7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H3,16,17) |
InChIKey | InChI | 1.03 | ILLPJIZSGRJOPC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2ccc(cc2c1OCC(N)=O)C(N)=N |
SMILES | CACTVS | 3.370 | COc1ccc2ccc(cc2c1OCC(N)=O)C(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2ccc(cc2c1OCC(=O)N)C(=N)N |