2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-N-[N'-(2-pyrrolidin-1-ylethyl)carbamimidoyl]benzamide

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-N-[N'-(2-pyrrolidin-1-ylethyl)carbamimidoyl]benzamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-N-[N'-(2-pyrrolidin-1-ylethyl)carbamimidoyl]benzamide CAS Name: N-[amino-[2-(1-pyrrolidinyl)ethylimino]methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorobenzamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluoro-N-[N'-(2-pyrrolidin-1-ylethyl)carbamimidoyl]benzamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-N-[N'-(2-pyrrolidinoethyl)amidino]benzamide Formula: C23H28BrFN4O2 MolecularWeight: 491.396423

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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(=NCCN3CCCC3)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C(=O)NC(=NCCN3CCCC3)N

InChI

InChI=1S/C23H28BrFN4O2/c1-31-21-10-8-17(24)15-16(21)7-9-18-19(5-4-6-20(18)25)22(30)28-23(26)27-11-14-29-12-2-3-13-29/h4-6,8,10,15H,2-3,7,9,11-14H2,1H3,(H3,26,27,28,30)