Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4 |
InChI | InChI | 1.03 | InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3 |
InChIKey | InChI | 1.03 | OHDPJCAMZXLYKM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl |