Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c1c(cc2c(c1)CCCC2)n(c3)Cc4ccc(OC)c(c4)C |
InChI | InChI | 1.03 | InChI=1S/C20H22N2O/c1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22/h7-11,13H,3-6,12H2,1-2H3 |
InChIKey | InChI | 1.03 | BBFOREFQNPCWBB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Cn2cnc3cc4CCCCc4cc23)cc1C |
SMILES | CACTVS | 3.370 | COc1ccc(Cn2cnc3cc4CCCCc4cc23)cc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4 |