2-[4,7-bis(fluoranyl)-3-oxidanylidene-1H-isoindol-2-yl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide

Systemtic Name: 2-[4,7-bis(fluoranyl)-3-oxidanylidene-1H-isoindol-2-yl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(4,7-difluoro-1-oxo-isoindolin-2-yl)-2-ethoxy-acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-(4,7-difluoro-3-oxo-1H-isoindol-2-yl)-2-ethoxyacetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(4,7-difluoro-3-oxo-1H-isoindol-2-yl)-2-ethoxyacetamide Traditional Name: N-(4-amidinobenzyl)-2-(4,7-difluoro-1-keto-isoindolin-2-yl)-2-ethoxy-acetamide Formula: C20H20F2N4O3 MolecularWeight: 402.394606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2CC3=C(C=CC(=C3C2=O)F)F

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2CC3=C(C=CC(=C3C2=O)F)F

InChI

InChI=1S/C20H20F2N4O3/c1-2-29-20(18(27)25-9-11-3-5-12(6-4-11)17(23)24)26-10-13-14(21)7-8-15(22)16(13)19(26)28/h3-8,20H,2,9-10H2,1H3,(H3,23,24)(H,25,27)