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

Systemtic Name: N-(4-benzamidopiperidin-1-yl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide Openeye Name: N-(4-benzamido-1-piperidyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: N-(4-benzamido-1-piperidinyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolecarboxamide IUPAC Name: N-(4-benzamidopiperidin-1-yl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(4-benzamidopiperidino)-1-methyl-benzimidazole-5-carboxamide Formula: C30H33N7O2 MolecularWeight: 523.62872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N7O2/c1-36-26-13-12-23(19-25(26)34-27(36)14-9-20-7-10-21(11-8-20)28(31)32)30(39)35-37-17-15-24(16-18-37)33-29(38)22-5-3-2-4-6-22/h2-8,10-13,19,24H,9,14-18H2,1H3,(H3,31,32)(H,33,38)(H,35,39)