2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-1-piperazinyl]-N-butylacetamide IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-butylacetamide Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)piperazino]-N-butyl-acetamide Formula: C17H25BrFN3O MolecularWeight: 386.302303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H25BrFN3O/c1-2-3-6-20-17(23)13-22-9-7-21(8-10-22)12-14-4-5-15(18)11-16(14)19/h4-5,11H,2-3,6-10,12-13H2,1H3,(H,20,23)