methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]nipecotic acid methyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H25N5O3/c1-27-19-10-9-16(22(29)28-11-3-4-17(13-28)23(30)31-2)12-18(19)26-21(27)15-7-5-14(6-8-15)20(24)25/h5-10,12,17H,3-4,11,13H2,1-2H3,(H3,24,25)