N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[(2-chloranyl-4-fluoranyl-phenyl)amino]piperidin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[(2-chloranyl-4-fluoranyl-phenyl)amino]piperidin-1-yl]-N-methyl-ethanamide Openeye Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-chloro-4-fluoro-anilino)-1-piperidyl]-N-methyl-acetamide CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-2-[4-(2-chloro-4-fluoroanilino)-1-piperidinyl]-N-methylacetamide IUPAC Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N-methylacetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-chloro-4-fluoro-anilino)piperidino]-N-methyl-acetamide Formula: C31H35ClFN7O MolecularWeight: 576.107303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)NC4=C(C=C(C=C4)F)Cl)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)NC4=C(C=C(C=C4)F)Cl)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H35ClFN7O/c1-38(30(41)19-40-15-13-23(14-16-40)36-26-10-8-22(33)17-25(26)32)24-9-11-28-27(18-24)37-29(39(28)2)12-5-20-3-6-21(7-4-20)31(34)35/h3-4,6-11,17-18,23,36H,5,12-16,19H2,1-2H3,(H3,34,35)