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

Systemtic Name: 2-[4-[bromanyl(chloranyl)amino]piperidin-1-yl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[bromo(chloro)amino]-1-piperidyl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-acetamide CAS Name: 2-[4-[bromo(chloro)amino]-1-piperidinyl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-N-methylacetamide IUPAC Name: 2-[4-[bromo(chloro)amino]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-[bromo(chloro)amino]piperidino]-N-methyl-acetamide Formula: C25H31BrClN7O MolecularWeight: 560.91694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)N(Cl)Br)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)N(Cl)Br)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H31BrClN7O/c1-31(24(35)16-33-13-11-19(12-14-33)34(26)27)20-8-9-22-21(15-20)30-23(32(22)2)10-5-17-3-6-18(7-4-17)25(28)29/h3-4,6-9,15,19H,5,10-14,16H2,1-2H3,(H3,28,29)