2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-[4-[2-dimethylaminoethyl-(phenylmethyl)amino]butyl]carbamimidoyl]-3-fluoranyl-benzamide

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-N-[N'-[4-[2-dimethylaminoethyl-(phenylmethyl)amino]butyl]carbamimidoyl]-3-fluoranyl-benzamide Openeye Name: N-[N'-[4-[benzyl(2-dimethylaminoethyl)amino]butyl]carbamimidoyl]-2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-benzamide CAS Name: N-[amino-[4-[2-dimethylaminoethyl-(phenylmethyl)amino]butylimino]methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[N'-[4-[benzyl(2-dimethylaminoethyl)amino]butyl]carbamimidoyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorobenzamide Traditional Name: N-[N'-[4-[benzyl(2-dimethylaminoethyl)amino]butyl]amidino]-2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-benzamide Formula: C32H41BrFN5O2 MolecularWeight: 626.602643

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CCCCN=C(N)NC(=O)C1=C(C(=CC=C1)F)CCC2=C(C=CC(=C2)Br)OC)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(CCCCN=C(N)NC(=O)C1=C(C(=CC=C1)F)CCC2=C(C=CC(=C2)Br)OC)CC3=CC=CC=C3

InChI

InChI=1S/C32H41BrFN5O2/c1-38(2)20-21-39(23-24-10-5-4-6-11-24)19-8-7-18-36-32(35)37-31(40)28-12-9-13-29(34)27(28)16-14-25-22-26(33)15-17-30(25)41-3/h4-6,9-13,15,17,22H,7-8,14,16,18-21,23H2,1-3H3,(H3,35,36,37,40)