Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12 |
InChI | InChI | 1.06 | InChI=1S/C17H15ClN4O2/c1-22-9-20-13-7-19-8-14(16(13)22)21-17(23)11-4-5-24-15-3-2-10(18)6-12(11)15/h2-3,6-9,11H,4-5H2,1H3,(H,21,23)/t11-/m1/s1 |
InChIKey | InChI | 1.06 | BKYVVDKZFPPWFC-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc34)c12 |
SMILES | CACTVS | 3.385 | Cn1cnc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)cc34)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cnc2c1c(cnc2)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cnc2c1c(cnc2)NC(=O)C3CCOc4c3cc(cc4)Cl |