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

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[chloranyl(methyl)amino]piperidin-1-yl]-N-methyl-ethanamide Openeye Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[chloro(methyl)amino]-1-piperidyl]-N-methyl-acetamide CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-2-[4-[chloro(methyl)amino]-1-piperidinyl]-N-methylacetamide IUPAC Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-2-[4-[chloro(methyl)amino]piperidin-1-yl]-N-methylacetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-[chloro(methyl)amino]piperidino]-N-methyl-acetamide Formula: C26H34ClN7O MolecularWeight: 496.04746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN7O/c1-31(25(35)17-34-14-12-20(13-15-34)33(3)27)21-9-10-23-22(16-21)30-24(32(23)2)11-6-18-4-7-19(8-5-18)26(28)29/h4-5,7-10,16,20H,6,11-15,17H2,1-3H3,(H3,28,29)