N-(2-azanylethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(cyclohexylmethyl)-1-phenethyl-benzimidazole-5-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(cyclohexylmethyl)-1-phenethyl-benzimidazole-5-carboxamide Openeye Name: N-(2-aminoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(cyclohexylmethyl)-1-phenethyl-benzimidazole-5-carboxamide CAS Name: N-(2-aminoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(cyclohexylmethyl)-1-phenethyl-5-benzimidazolecarboxamide IUPAC Name: N-(2-aminoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-N-(cyclohexylmethyl)-1-phenethylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(2-aminoethyl)-N-(cyclohexylmethyl)-1-phenethyl-benzimidazole-5-carboxamide Formula: C34H42N6O MolecularWeight: 550.73688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCN)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CN(CCN)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)CCC5=CC=CC=C5

InChI

InChI=1S/C34H42N6O/c35-20-22-39(24-27-9-5-2-6-10-27)34(41)29-16-17-31-30(23-29)38-32(40(31)21-19-25-7-3-1-4-8-25)18-13-26-11-14-28(15-12-26)33(36)37/h1,3-4,7-8,11-12,14-17,23,27H,2,5-6,9-10,13,18-22,24,35H2,(H3,36,37)