2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(6-fluoro-4-quinolyl)sulfanyl]-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(6-fluoro-4-quinolinyl)thio]-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(6-fluoroquinolin-4-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(6-fluoro-4-quinolyl)thio]-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C21H24FN5OS MolecularWeight: 413.511563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=C4C=C(C=CC4=NC=C3)F

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=C4C=C(C=CC4=NC=C3)F

InChI

InChI=1S/C21H24FN5OS/c1-25-10-7-24-20(25)14-26-8-2-9-27(12-11-26)21(28)15-29-19-5-6-23-18-4-3-16(22)13-17(18)19/h3-7,10,13H,2,8-9,11-12,14-15H2,1H3