1-(4-chlorophenyl)-6-fluoranyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-6-fluoranyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-6-fluoro-4-oxo-2-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-6-fluoro-4-oxo-2-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-6-fluoro-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-6-fluoro-4-keto-2-piperazino-quinoline-3-carboxylic acid Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=O)C3=C(N2C4=CC=C(C=C4)Cl)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=C(C(=O)C3=C(N2C4=CC=C(C=C4)Cl)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C20H17ClFN3O3/c21-12-1-4-14(5-2-12)25-16-6-3-13(22)11-15(16)18(26)17(20(27)28)19(25)24-9-7-23-8-10-24/h1-6,11,23H,7-10H2,(H,27,28)