Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2cc1nc(c(C)c(c1cc2)C(O)=O)c3ccc(cc3)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H16N2O2/c1-14-20(22(25)26)18-11-12-23-13-19(18)24-21(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26) |
InChIKey | InChI | 1.03 | QTJZVPVLAFKPGP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(nc2cnccc2c1C(O)=O)c3ccc(cc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1c(nc2cnccc2c1C(O)=O)c3ccc(cc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O |