Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H16ClN3O4/c1-11-15(10-17-19(25)23-28-22-17)16-9-14(27-2)7-8-18(16)24(11)20(26)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,23,25) |
InChIKey | InChI | 1.03 | VJZLOJXUWVYZRW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O |