(2S)-N-(4-azanyl-2-chloranyl-phenyl)-2-(azepan-1-yl)propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-chloranyl-phenyl)-2-(azepan-1-yl)propanamide Openeye Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-(azepan-1-yl)propanamide CAS Name: (2S)-N-(4-amino-2-chlorophenyl)-2-(1-azepanyl)propanamide IUPAC Name: (2S)-N-(4-amino-2-chlorophenyl)-2-(azepan-1-yl)propanamide Traditional Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-(azepan-1-yl)propionamide Formula: C15H22ClN3O MolecularWeight: 295.80768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O/c1-11(19-8-4-2-3-5-9-19)15(20)18-14-7-6-12(17)10-13(14)16/h6-7,10-11H,2-5,8-9,17H2,1H3,(H,18,20)/t11-/m0/s1