N-(2-azanylethyl)-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-(2-cyclohexylethyl)benzimidazole-5-carboxamide

Systemtic Name: N-(2-azanylethyl)-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-(2-cyclohexylethyl)benzimidazole-5-carboxamide Openeye Name: N-(2-aminoethyl)-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-(2-cyclohexylethyl)benzimidazole-5-carboxamide CAS Name: N-(2-aminoethyl)-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-(2-cyclohexylethyl)-5-benzimidazolecarboxamide IUPAC Name: N-(2-aminoethyl)-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-(2-cyclohexylethyl)benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(2-aminoethyl)-N-butyl-1-(2-cyclohexylethyl)benzimidazole-5-carboxamide Formula: C31H44N6O MolecularWeight: 516.72066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCN)C(=O)C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)CCC4CCCCC4

Isomeric SMILES

CCCCN(CCN)C(=O)C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)CCC4CCCCC4

InChI

InChI=1S/C31H44N6O/c1-2-3-19-36(21-18-32)31(38)26-14-15-28-27(22-26)35-29(37(28)20-17-23-7-5-4-6-8-23)16-11-24-9-12-25(13-10-24)30(33)34/h9-10,12-15,22-23H,2-8,11,16-21,32H2,1H3,(H3,33,34)