N-(3-chloranyl-4-fluoranyl-phenyl)-2-thiophen-2-yl-azepane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-thiophen-2-yl-azepane-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(2-thienyl)azepane-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-thiophen-2-yl-1-azepanecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(2-thienyl)azepane-1-carboxamide Formula: C17H18ClFN2OS MolecularWeight: 352.854023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=CS3

Isomeric SMILES

C1CCC(N(CC1)C(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=CS3

InChI

InChI=1S/C17H18ClFN2OS/c18-13-11-12(7-8-14(13)19)20-17(22)21-9-3-1-2-5-15(21)16-6-4-10-23-16/h4,6-8,10-11,15H,1-3,5,9H2,(H,20,22)