(2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-(azepan-1-yl)propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-(azepan-1-yl)propanamide Openeye Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-(azepan-1-yl)propanamide CAS Name: (2S)-N-(5-amino-2-fluorophenyl)-2-(1-azepanyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-fluorophenyl)-2-(azepan-1-yl)propanamide Traditional Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-(azepan-1-yl)propionamide Formula: C15H22FN3O MolecularWeight: 279.353083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)N)F)N2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)N)F)N2CCCCCC2

InChI

InChI=1S/C15H22FN3O/c1-11(19-8-4-2-3-5-9-19)15(20)18-14-10-12(17)6-7-13(14)16/h6-7,10-11H,2-5,8-9,17H2,1H3,(H,18,20)/t11-/m0/s1