methyl 5-[[4-[2-fluoranyl-6-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-fluoranyl-6-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[2-fluoro-6-(trifluoromethyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20F4N2O4 MolecularWeight: 428.377413

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=CC=C3F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C20H20F4N2O4/c1-29-19(28)16-7-6-13(30-16)12-25-8-3-9-26(11-10-25)18(27)17-14(20(22,23)24)4-2-5-15(17)21/h2,4-7H,3,8-12H2,1H3