Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25N3O3/c1-26(2)15-16-7-9-17(10-8-16)24-20-12-11-19(25-23(20)27-3)18-5-4-6-21-22(18)29-14-13-28-21/h4-12,24H,13-15H2,1-3H3 |
InChIKey | InChI | 1.03 | MJHHFDJNRRCUOB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(ccc1Nc2ccc(CN(C)C)cc2)c3cccc4OCCOc34 |
SMILES | CACTVS | 3.385 | COc1nc(ccc1Nc2ccc(CN(C)C)cc2)c3cccc4OCCOc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4 |