Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H15N3O4/c1-22-18(25)16(10-21-22)17(24)13-7-8-14-15(9-13)20(27)23(19(14)26)11-12-5-3-2-4-6-12/h2-10,25H,11H2,1H3 |
InChIKey | InChI | 1.06 | GNZCKXMCPWJIFN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2 |
SMILES | CACTVS | 3.385 | Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O |