Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29) |
InChIKey | InChI | 1.03 | OROXLWZECIFWHN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(cc(c1)c2ccc3cccnc3c2)c4ccc5ncccc5c4 |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(cc(c1)c2ccc3cccnc3c2)c4ccc5ncccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5 |