N-[(4-carbamimidoylphenyl)methyl]-2-(4-imidazol-1-ylphenyl)-2-methoxy-ethanamide hydrochloride

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-(4-imidazol-1-ylphenyl)-2-methoxy-ethanamide hydrochloride Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(4-imidazol-1-ylphenyl)-2-methoxy-acetamide hydrochloride CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(1-imidazolyl)phenyl]-2-methoxyacetamide hydrochloride IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(4-imidazol-1-ylphenyl)-2-methoxyacetamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-2-(4-imidazol-1-ylphenyl)-2-methoxy-acetamide hydrochloride Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=C(C=C1)N2C=CN=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(C1=CC=C(C=C1)N2C=CN=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H21N5O2.ClH/c1-27-18(15-6-8-17(9-7-15)25-11-10-23-13-25)20(26)24-12-14-2-4-16(5-3-14)19(21)22;/h2-11,13,18H,12H2,1H3,(H3,21,22)(H,24,26);1H