Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H20ClFN4O/c1-29-14-2-3-15(18(23)8-14)16-9-17-20(10-19(16)24)26-11-21-22(17)28(12-27-21)13-4-6-25-7-5-13/h2-3,8-13,25H,4-7H2,1H3 |
InChIKey | InChI | 1.06 | CBDCNDJVBAISJJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(c(Cl)c1)c2cc3c(cc2F)ncc4ncn(C5CCNCC5)c34 |
SMILES | CACTVS | 3.385 | COc1ccc(c(Cl)c1)c2cc3c(cc2F)ncc4ncn(C5CCNCC5)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5 |