[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-phenoxypyridine-3-carboxylate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-phenoxypyridine-3-carboxylate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C25H21FN2O5 MolecularWeight: 448.443043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O5/c26-18-13-11-17(12-14-18)23(29)28-16-5-4-10-21(24(28)30)33-25(31)20-9-6-15-27-22(20)32-19-7-2-1-3-8-19/h1-3,6-9,11-15,21H,4-5,10,16H2