2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-phenylazanylethyl)benzimidazole-5-carboxamide

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(2-phenylazanylethyl)benzimidazole-5-carboxamide Openeye Name: N-(2-anilinoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: N-(2-anilinoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolecarboxamide IUPAC Name: N-(2-anilinoethyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(2-anilinoethyl)-1-methyl-benzimidazole-5-carboxamide Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCNC3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCNC3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H28N6O/c1-32-23-13-12-20(26(33)30-16-15-29-21-5-3-2-4-6-21)17-22(23)31-24(32)14-9-18-7-10-19(11-8-18)25(27)28/h2-8,10-13,17,29H,9,14-16H2,1H3,(H3,27,28)(H,30,33)