2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-(N'-butylcarbamimidoyl)-3-fluoranyl-benzamide

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-(N'-butylcarbamimidoyl)-3-fluoranyl-benzamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-(N'-butylcarbamimidoyl)-3-fluoro-benzamide CAS Name: N-[amino(butylimino)methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorobenzamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-(N'-butylcarbamimidoyl)-3-fluorobenzamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-N-(N'-butylamidino)-3-fluoro-benzamide Formula: C21H25BrFN3O2 MolecularWeight: 450.344503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)NC(=O)C1=C(C(=CC=C1)F)CCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCCN=C(N)NC(=O)C1=C(C(=CC=C1)F)CCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H25BrFN3O2/c1-3-4-12-25-21(24)26-20(27)17-6-5-7-18(23)16(17)10-8-14-13-15(22)9-11-19(14)28-2/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3,(H3,24,25,26,27)