2-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H24FN5OS MolecularWeight: 413.511563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F)C#N

InChI

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