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

Systemtic Name: 2-[4-[bromanyl(propan-2-yl)amino]piperidin-1-yl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[bromo(isopropyl)amino]-1-piperidyl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-acetamide CAS Name: 2-[4-[bromo(propan-2-yl)amino]-1-piperidinyl]-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-N-methylacetamide IUPAC Name: 2-[4-[bromo(propan-2-yl)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(isopropyl)amino]piperidino]-N-methyl-acetamide Formula: C28H38BrN7O MolecularWeight: 568.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CCN(CC1)CC(=O)N(C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C)Br

Isomeric SMILES

CC(C)N(C1CCN(CC1)CC(=O)N(C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C)Br

InChI

InChI=1S/C28H38BrN7O/c1-19(2)36(29)22-13-15-35(16-14-22)18-27(37)33(3)23-10-11-25-24(17-23)32-26(34(25)4)12-7-20-5-8-21(9-6-20)28(30)31/h5-6,8-11,17,19,22H,7,12-16,18H2,1-4H3,(H3,30,31)