Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3 |
InChIKey | InChI | 1.03 | LDURKOGJFOYENC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1n2nc(cc2c3ccc(Cl)cc3)C4CC(C)(C)OC(C)(C)C4 |
SMILES | CACTVS | 3.385 | COc1ccccc1n2nc(cc2c3ccc(Cl)cc3)C4CC(C)(C)OC(C)(C)C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C |