Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H26N2O3/c1-26(2)16-17-6-4-7-19(14-17)25-21-11-10-18(15-23(21)27-3)20-8-5-9-22-24(20)29-13-12-28-22/h4-11,14-15,25H,12-13,16H2,1-3H3 |
InChIKey | InChI | 1.03 | LEFMIEUBWDMNAT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OCCOc34 |
SMILES | CACTVS | 3.385 | COc1cc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OCCOc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4 |