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

Systemtic Name: methyl 5-[[4-(2-fluoranyl-2-phenyl-ethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-fluoro-2-phenyl-acetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-fluoro-1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-fluoro-2-phenylacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-fluoro-2-phenyl-acetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H23FN2O4 MolecularWeight: 374.406023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4/c1-26-20(25)17-9-8-16(27-17)14-22-10-5-11-23(13-12-22)19(24)18(21)15-6-3-2-4-7-15/h2-4,6-9,18H,5,10-14H2,1H3