Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c(C(C)(C)O)ccc(c1cc(cc(c1)Cl)C2(CCC2)\C(=N)N)c3 |
InChI | InChI | 1.03 | InChI=1S/C20H23ClN2O/c1-19(2,24)15-6-4-13(5-7-15)14-10-16(12-17(21)11-14)20(18(22)23)8-3-9-20/h4-7,10-12,24H,3,8-9H2,1-2H3,(H3,22,23) |
InChIKey | InChI | 1.03 | VORBWTOFIFETCY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)c1ccc(cc1)c2cc(Cl)cc(c2)C3(CCC3)C(N)=N |
SMILES | CACTVS | 3.385 | CC(C)(O)c1ccc(cc1)c2cc(Cl)cc(c2)C3(CCC3)C(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)\N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(c1ccc(cc1)c2cc(cc(c2)Cl)C3(CCC3)C(=N)N)O |