N-[4-(azepan-1-yl)phenyl]-2-(2-bromanyl-4-fluoranyl-phenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(2-bromanyl-4-fluoranyl-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(2-bromo-4-fluoro-phenoxy)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(2-bromo-4-fluorophenoxy)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(2-bromo-4-fluorophenoxy)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(2-bromo-4-fluoro-phenoxy)acetamide Formula: C20H22BrFN2O2 MolecularWeight: 421.303283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H22BrFN2O2/c21-18-13-15(22)5-10-19(18)26-14-20(25)23-16-6-8-17(9-7-16)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12,14H2,(H,23,25)