N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethanamide

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethanamide Openeye Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-(1-naphthylmethyl)-2-[4-(3-pyridylamino)-1-piperidyl]acetamide CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-N-(1-naphthalenylmethyl)-2-[4-(3-pyridinylamino)-1-piperidinyl]acetamide IUPAC Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)-2-[4-(pyridin-3-ylamino)piperidin-1-yl]acetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-(1-naphthylmethyl)-2-[4-(3-pyridylamino)piperidino]acetamide Formula: C40H42N8O MolecularWeight: 650.81448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)CN5CCC(CC5)NC6=CN=CC=C6)N=C1CCC7=CC=C(C=C7)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CC=CC4=CC=CC=C43)C(=O)CN5CCC(CC5)NC6=CN=CC=C6)N=C1CCC7=CC=C(C=C7)C(=N)N

InChI

InChI=1S/C40H42N8O/c1-46-37-17-16-34(24-36(37)45-38(46)18-13-28-11-14-30(15-12-28)40(41)42)48(26-31-8-4-7-29-6-2-3-10-35(29)31)39(49)27-47-22-19-32(20-23-47)44-33-9-5-21-43-25-33/h2-12,14-17,21,24-25,32,44H,13,18-20,22-23,26-27H2,1H3,(H3,41,42)