N-(3-chloranyl-4-fluoranyl-phenyl)azepane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)azepane-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)azepane-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-azepanecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)azepane-1-carboxamide Formula: C13H16ClFN2O MolecularWeight: 270.730343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H16ClFN2O/c14-11-9-10(5-6-12(11)15)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18)