Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl |
InChI | InChI | 1.03 | InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 |
InChIKey | InChI | 1.03 | PTIFVLOBVCIMKL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)c1cccn2c1nnc2C3(CC3)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | CC(C)(O)c1cccn2c1nnc2C3(CC3)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O |