[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3,5-bis(fluoranyl)benzoate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C20H16ClF2NO4 MolecularWeight: 407.795146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC(=CC(=C2)F)F)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC(=CC(=C2)F)F)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClF2NO4/c21-14-6-4-12(5-7-14)18(25)24-8-2-1-3-17(19(24)26)28-20(27)13-9-15(22)11-16(23)10-13/h4-7,9-11,17H,1-3,8H2