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

Systemtic Name: 2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(6-fluoro-4-quinolyl)sulfanyl]-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(6-fluoro-4-quinolinyl)thio]-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(6-fluoroquinolin-4-yl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(6-fluoro-4-quinolyl)thio]-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C23H25FN4OS MolecularWeight: 424.534203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=C4C=C(C=CC4=NC=C3)F

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=C4C=C(C=CC4=NC=C3)F

InChI

InChI=1S/C23H25FN4OS/c1-17-4-2-5-19(26-17)15-27-10-3-11-28(13-12-27)23(29)16-30-22-8-9-25-21-7-6-18(24)14-20(21)22/h2,4-9,14H,3,10-13,15-16H2,1H3