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

Systemtic Name: 2-[4-[(2-bromophenyl)amino]piperidin-1-yl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-ethanamide Openeye Name: 2-[4-(2-bromoanilino)-1-piperidyl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-acetamide CAS Name: 2-[4-(2-bromoanilino)-1-piperidinyl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-N-methylacetamide IUPAC Name: 2-[4-(2-bromoanilino)piperidin-1-yl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-N-methylacetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-bromoanilino)piperidino]-N-methyl-acetamide Formula: C31H36BrN7O MolecularWeight: 602.56784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)NC4=CC=CC=C4Br)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=C4Br)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H36BrN7O/c1-37(30(40)20-39-17-15-23(16-18-39)35-26-6-4-3-5-25(26)32)24-12-13-28-27(19-24)36-29(38(28)2)14-9-21-7-10-22(11-8-21)31(33)34/h3-8,10-13,19,23,35H,9,14-18,20H2,1-2H3,(H3,33,34)