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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)COC3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)COC3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

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