[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C25H25FN2O5 MolecularWeight: 452.474803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O5/c26-20-12-10-18(11-13-20)23(30)28-15-2-1-4-21(24(28)31)33-25(32)19-8-6-17(7-9-19)16-27-14-3-5-22(27)29/h6-13,21H,1-5,14-16H2