N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-2-(4-phenylazanylpiperidin-1-yl)ethanamide

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-2-(4-phenylazanylpiperidin-1-yl)ethanamide Openeye Name: 2-(4-anilino-1-piperidyl)-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-acetamide CAS Name: 2-(4-anilino-1-piperidinyl)-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-N-methylacetamide IUPAC Name: 2-(4-anilinopiperidin-1-yl)-N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-N-methylacetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-(4-anilinopiperidino)-N-methyl-acetamide Formula: C31H37N7O MolecularWeight: 523.67178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)NC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C)C(=O)CN3CCC(CC3)NC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H37N7O/c1-36(30(39)21-38-18-16-25(17-19-38)34-24-6-4-3-5-7-24)26-13-14-28-27(20-26)35-29(37(28)2)15-10-22-8-11-23(12-9-22)31(32)33/h3-9,11-14,20,25,34H,10,15-19,21H2,1-2H3,(H3,32,33)