3-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-1H-quinolin-2-one

Systemtic Name: 3-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]carbonyl-1H-quinolin-2-one Openeye Name: 3-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-1H-quinolin-2-one CAS Name: 3-[[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1H-quinolin-2-one IUPAC Name: 3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-1H-quinolin-2-one Traditional Name: 3-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]carbostyril Formula: C21H17ClFN3O3 MolecularWeight: 413.829383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3NC2=O)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3NC2=O)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C21H17ClFN3O3/c22-14-5-6-17(23)15(12-14)20(28)25-7-9-26(10-8-25)21(29)16-11-13-3-1-2-4-18(13)24-19(16)27/h1-6,11-12H,7-10H2,(H,24,27)