3-[3-(3-chloranyl-5-fluoranyl-phenyl)-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-furan-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(3-chloranyl-5-fluoranyl-phenyl)-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-furan-2-yl]benzenecarbonitrile Openeye Name: 3-[3-(3-chloro-5-fluoro-phenyl)-5-(3-oxopiperazine-1-carbonyl)-2-furyl]benzonitrile CAS Name: 3-[3-(3-chloro-5-fluorophenyl)-5-[oxo-(3-oxo-1-piperazinyl)methyl]-2-furanyl]benzonitrile IUPAC Name: 3-[3-(3-chloro-5-fluorophenyl)-5-(3-oxopiperazine-1-carbonyl)furan-2-yl]benzonitrile Traditional Name: 3-[3-(3-chloro-5-fluoro-phenyl)-5-(3-ketopiperazine-1-carbonyl)-2-furyl]benzonitrile Formula: C22H15ClFN3O3 MolecularWeight: 423.824203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=CC(=C(O2)C3=CC=CC(=C3)C#N)C4=CC(=CC(=C4)Cl)F

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=CC(=C(O2)C3=CC=CC(=C3)C#N)C4=CC(=CC(=C4)Cl)F

InChI

InChI=1S/C22H15ClFN3O3/c23-16-7-15(8-17(24)9-16)18-10-19(22(29)27-5-4-26-20(28)12-27)30-21(18)14-3-1-2-13(6-14)11-25/h1-3,6-10H,4-5,12H2,(H,26,28)