Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H19N3O2/c27-22(15-19-12-7-13-28-19)26-23-20(14-17-8-3-1-4-9-17)25-21(16-24-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,26,27) |
InChIKey | InChI | 1.06 | SGNAEEQPPHGYPX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4 |