4-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-oxo-ethyl]-2-methyl-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-2-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-keto-ethyl]-2-methyl-1,4-benzoxazin-3-one Formula: C22H21ClFN3O4 MolecularWeight: 445.871243

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C22H21ClFN3O4/c1-14-21(29)27(18-4-2-3-5-19(18)31-14)13-20(28)25-8-10-26(11-9-25)22(30)16-12-15(23)6-7-17(16)24/h2-7,12,14H,8-11,13H2,1H3