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

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C20H24FN3OS MolecularWeight: 373.487463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3OS/c1-16-4-2-5-18(22-16)14-23-10-3-11-24(13-12-23)20(25)15-26-19-8-6-17(21)7-9-19/h2,4-9H,3,10-15H2,1H3