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

Systemtic Name: methyl 5-[[4-(3-bromanyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-bromo-2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-bromo-2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H20BrFN2O4 MolecularWeight: 439.275503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrFN2O4/c1-26-19(25)16-7-6-13(27-16)12-22-8-3-9-23(11-10-22)18(24)14-4-2-5-15(20)17(14)21/h2,4-7H,3,8-12H2,1H3