2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenylpropyl)benzimidazole-5-carboxamide hydrochloride

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenylpropyl)benzimidazole-5-carboxamide hydrochloride Openeye Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenylpropyl)benzimidazole-5-carboxamide hydrochloride CAS Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenylpropyl)-5-benzimidazolecarboxamide hydrochloride IUPAC Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-phenylpropyl)benzimidazole-5-carboxamide hydrochloride Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-1-methyl-N-(3-phenylpropyl)benzimidazole-5-carboxamide hydrochloride Formula: C27H30ClN5O MolecularWeight: 476.013

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C27H29N5O.ClH/c1-32-24-15-14-22(27(33)30-17-5-8-19-6-3-2-4-7-19)18-23(24)31-25(32)16-11-20-9-12-21(13-10-20)26(28)29;/h2-4,6-7,9-10,12-15,18H,5,8,11,16-17H2,1H3,(H3,28,29)(H,30,33);1H