Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12c(cccc1)n(cc2C4CN(Cc3c(Br)cccc3F)CC4N(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1 |
InChIKey | InChI | 1.03 | ZNFRUVZPVKADAA-VGSWGCGISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@H]1CN(C[C@@H]1c2cn(C)c3ccccc23)Cc4c(F)cccc4Br |
SMILES | CACTVS | 3.385 | CN(C)[CH]1CN(C[CH]1c2cn(C)c3ccccc23)Cc4c(F)cccc4Br |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c2c1cccc2)C3CN(CC3N(C)C)Cc4c(cccc4Br)F |