2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-N-(phenylmethyl)benzimidazole-5-carboxamide hydrochloride

Systemtic Name: 2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-N-(phenylmethyl)benzimidazole-5-carboxamide hydrochloride Openeye Name: N-benzyl-2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carboxamide hydrochloride CAS Name: 2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-(phenylmethyl)-5-benzimidazolecarboxamide hydrochloride IUPAC Name: N-benzyl-2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carboxamide hydrochloride Traditional Name: 2-[(4-amidinoanilino)methyl]-N-benzyl-1-methyl-benzimidazole-5-carboxamide hydrochloride Formula: C24H25ClN6O MolecularWeight: 448.9479

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C24H24N6O.ClH/c1-30-21-12-9-18(24(31)28-14-16-5-3-2-4-6-16)13-20(21)29-22(30)15-27-19-10-7-17(8-11-19)23(25)26;/h2-13,27H,14-15H2,1H3,(H3,25,26)(H,28,31);1H