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

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[(4-chlorophenyl)amino]piperidin-1-yl]-N-methyl-ethanamide Openeye Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(4-chloroanilino)-1-piperidyl]-N-methyl-acetamide CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-2-[4-(4-chloroanilino)-1-piperidinyl]-N-methylacetamide IUPAC Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-2-[4-(4-chloroanilino)piperidin-1-yl]-N-methylacetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(4-chloroanilino)piperidino]-N-methyl-acetamide Formula: C31H36ClN7O MolecularWeight: 558.11684

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H36ClN7O/c1-37(30(40)20-39-17-15-25(16-18-39)35-24-10-8-23(32)9-11-24)26-12-13-28-27(19-26)36-29(38(28)2)14-5-21-3-6-22(7-4-21)31(33)34/h3-4,6-13,19,25,35H,5,14-18,20H2,1-2H3,(H3,33,34)