N-[(4-carbamimidoylphenyl)methyl]-2-(2-fluoranyl-4-pyridin-4-yl-phenyl)-2-methoxy-ethanamide hydrochloride

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-fluoranyl-4-pyridin-4-yl-phenyl)-2-methoxy-ethanamide hydrochloride Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoro-4-(4-pyridyl)phenyl]-2-methoxy-acetamide hydrochloride CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-fluoro-4-pyridin-4-ylphenyl)-2-methoxyacetamide hydrochloride IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2-fluoro-4-pyridin-4-ylphenyl)-2-methoxyacetamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-2-[2-fluoro-4-(4-pyridyl)phenyl]-2-methoxy-acetamide hydrochloride Formula: C22H22ClFN4O2 MolecularWeight: 428.887083

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=C(C=C1)C2=CC=NC=C2)F)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(C1=C(C=C(C=C1)C2=CC=NC=C2)F)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H21FN4O2.ClH/c1-29-20(22(28)27-13-14-2-4-16(5-3-14)21(24)25)18-7-6-17(12-19(18)23)15-8-10-26-11-9-15;/h2-12,20H,13H2,1H3,(H3,24,25)(H,27,28);1H