N-[(4-carbamimidoylphenyl)methyl]-2-(2-ethynyl-6-fluoranyl-phenyl)-2-methoxy-ethanamide hydrochloride

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-ethynyl-6-fluoranyl-phenyl)-2-methoxy-ethanamide hydrochloride Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-ethynyl-6-fluoro-phenyl)-2-methoxy-acetamide hydrochloride CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-ethynyl-6-fluorophenyl)-2-methoxyacetamide hydrochloride IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-ethynyl-6-fluorophenyl)-2-methoxyacetamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-2-(2-ethynyl-6-fluoro-phenyl)-2-methoxy-acetamide hydrochloride Formula: C19H19ClFN3O2 MolecularWeight: 375.824463

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=CC=C1F)C#C)C(=O)NCC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC(C1=C(C=CC=C1F)C#C)C(=O)NCC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C19H18FN3O2.ClH/c1-3-13-5-4-6-15(20)16(13)17(25-2)19(24)23-11-12-7-9-14(10-8-12)18(21)22;/h1,4-10,17H,11H2,2H3,(H3,21,22)(H,23,24);1H