4-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]-2-propyl-1,4-benzoxazepine-3,5-quinone Formula: C21H20FNO5 MolecularWeight: 385.385603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H20FNO5/c1-3-6-19-21(26)23(20(25)14-7-4-5-8-18(14)28-19)12-16(24)15-11-13(22)9-10-17(15)27-2/h4-5,7-11,19H,3,6,12H2,1-2H3