methyl 5-[[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3-bromo-4-fluoro-phenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-bromo-4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-bromo-4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-bromo-4-fluoro-benzyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H22BrFN2O3 MolecularWeight: 425.291983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFN2O3/c1-25-19(24)18-6-4-15(26-18)13-23-8-2-7-22(9-10-23)12-14-3-5-17(21)16(20)11-14/h3-6,11H,2,7-10,12-13H2,1H3