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

Systemtic Name: methyl 5-[[4-[2-(5-bromanylpyridin-3-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(5-bromo-3-pyridyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-(5-bromo-3-pyridinyl)-1-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(5-bromopyridin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(5-bromo-3-pyridyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H22BrN3O4 MolecularWeight: 436.29968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC(=CN=C3)Br

InChI

InChI=1S/C19H22BrN3O4/c1-26-19(25)17-4-3-16(27-17)13-22-5-2-6-23(8-7-22)18(24)10-14-9-15(20)12-21-11-14/h3-4,9,11-12H,2,5-8,10,13H2,1H3