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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-N-[N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-N-[N'-(3-pyridylmethyl)carbamimidoyl]benzamide CAS Name: N-[amino(3-pyridinylmethylimino)methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorobenzamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluoro-N-[N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-N-[N'-(3-pyridylmethyl)amidino]benzamide Formula: C23H22BrFN4O2 MolecularWeight: 485.348783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C(=O)NC(=NCC3=CN=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C(=O)NC(=NCC3=CN=CC=C3)N

InChI

InChI=1S/C23H22BrFN4O2/c1-31-21-10-8-17(24)12-16(21)7-9-18-19(5-2-6-20(18)25)22(30)29-23(26)28-14-15-4-3-11-27-13-15/h2-6,8,10-13H,7,9,14H2,1H3,(H3,26,28,29,30)