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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C22H21ClFN3O4/c23-15-5-6-17(24)16(13-15)22(30)26-10-8-25(9-11-26)21(29)14-27-18-3-1-2-4-19(18)31-12-7-20(27)28/h1-6,13H,7-12,14H2