2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-N-[N'-[3-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]benzamide

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-fluoranyl-N-[N'-[3-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]benzamide Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-N-[N'-[3-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]benzamide CAS Name: N-[amino-[3-(4-methyl-1-piperazinyl)propylimino]methyl]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorobenzamide IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluoro-N-[N'-[3-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]benzamide Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-fluoro-N-[N'-[3-(4-methylpiperazino)propyl]amidino]benzamide Formula: C25H33BrFN5O2 MolecularWeight: 534.464223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN=C(N)NC(=O)C2=C(C(=CC=C2)F)CCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN1CCN(CC1)CCCN=C(N)NC(=O)C2=C(C(=CC=C2)F)CCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C25H33BrFN5O2/c1-31-13-15-32(16-14-31)12-4-11-29-25(28)30-24(33)21-5-3-6-22(27)20(21)9-7-18-17-19(26)8-10-23(18)34-2/h3,5-6,8,10,17H,4,7,9,11-16H2,1-2H3,(H3,28,29,30,33)