2-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]-6-fluoro-benzonitrile CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]amino]-6-fluorobenzonitrile IUPAC Name: 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-6-fluorobenzonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]-6-fluoro-benzonitrile Formula: C16H20FN3O MolecularWeight: 289.347903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NC2=C(C(=CC=C2)F)C#N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)NC2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C16H20FN3O/c1-12(16(21)20-9-4-2-3-5-10-20)19-15-8-6-7-14(17)13(15)11-18/h6-8,12,19H,2-5,9-10H2,1H3