N-[4-(butylcarbamoylamino)piperidin-1-yl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide

Systemtic Name: N-[4-(butylcarbamoylamino)piperidin-1-yl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide Openeye Name: N-[4-(butylcarbamoylamino)-1-piperidyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: N-[4-[[butylamino(oxo)methyl]amino]-1-piperidinyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolecarboxamide IUPAC Name: N-[4-(butylcarbamoylamino)piperidin-1-yl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-[4-(butylcarbamoylamino)piperidino]-1-methyl-benzimidazole-5-carboxamide Formula: C28H38N8O2 MolecularWeight: 518.65372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1CCN(CC1)NC(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCCCNC(=O)NC1CCN(CC1)NC(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C28H38N8O2/c1-3-4-15-31-28(38)32-22-13-16-36(17-14-22)34-27(37)21-10-11-24-23(18-21)33-25(35(24)2)12-7-19-5-8-20(9-6-19)26(29)30/h5-6,8-11,18,22H,3-4,7,12-17H2,1-2H3,(H3,29,30)(H,34,37)(H2,31,32,38)