methyl 5-[[4-[2-(pyridin-3-ylcarbonylamino)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(pyridin-3-ylcarbonylamino)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(pyridine-3-carbonylamino)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(pyridine-3-carbonylamino)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-nicotinamidoacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H24N4O5/c1-28-20(27)17-6-5-16(29-17)14-23-8-3-9-24(11-10-23)18(25)13-22-19(26)15-4-2-7-21-12-15/h2,4-7,12H,3,8-11,13-14H2,1H3,(H,22,26)