N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[(3-chlorophenyl)amino]piperidin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[(3-chlorophenyl)amino]piperidin-1-yl]-N-methyl-ethanamide Openeye Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(3-chloroanilino)-1-piperidyl]-N-methyl-acetamide CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-2-[4-(3-chloroanilino)-1-piperidinyl]-N-methylacetamide IUPAC Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-2-[4-(3-chloroanilino)piperidin-1-yl]-N-methylacetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(3-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(=CC=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(=CC=C4)Cl)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

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