2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-[2-[3-fluoranyl-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-ethanamide

Systemtic Name: 2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-[2-[3-fluoranyl-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-ethanamide Openeye Name: 2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-acetamide CAS Name: N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-[4-[methylamino(methylimino)methyl]-1-piperazinyl]-2-phenylacetamide IUPAC Name: 2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenylacetamide Traditional Name: 2-[4-(N,N'-dimethylamidino)piperazino]-N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-acetamide Formula: C25H31F4N5O MolecularWeight: 493.540153

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)N1CCN(CC1)C(C2=CC=CC=C2)C(=O)N(C)CCC3=CC(=CC(=C3)F)C(F)(F)F

Isomeric SMILES

CNC(=NC)N1CCN(CC1)C(C2=CC=CC=C2)C(=O)N(C)CCC3=CC(=CC(=C3)F)C(F)(F)F

InChI

InChI=1S/C25H31F4N5O/c1-30-24(31-2)34-13-11-33(12-14-34)22(19-7-5-4-6-8-19)23(35)32(3)10-9-18-15-20(25(27,28)29)17-21(26)16-18/h4-8,15-17,22H,9-14H2,1-3H3,(H,30,31)