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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-thiophen-2-yl-azepane-1-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(2-thienyl)azepane-1-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-thiophen-2-yl-1-azepanecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(2-thienyl)azepane-1-carboxamide Formula: C17H18BrFN2OS MolecularWeight: 397.305023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN2OS/c18-12-7-8-14(13(19)11-12)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)