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

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(4-phenylazanylpiperidin-1-yl)benzimidazole-5-carboxamide Openeye Name: N-(4-anilino-1-piperidyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: N-(4-anilino-1-piperidinyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolecarboxamide IUPAC Name: N-(4-anilinopiperidin-1-yl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(4-anilinopiperidino)-1-methyl-benzimidazole-5-carboxamide Formula: C29H33N7O MolecularWeight: 495.61862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NN3CCC(CC3)NC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NN3CCC(CC3)NC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H33N7O/c1-35-26-13-12-22(19-25(26)33-27(35)14-9-20-7-10-21(11-8-20)28(30)31)29(37)34-36-17-15-24(16-18-36)32-23-5-3-2-4-6-23/h2-8,10-13,19,24,32H,9,14-18H2,1H3,(H3,30,31)(H,34,37)