6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperidin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperidin-4-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(4-piperidyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(4-piperidinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperidin-4-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-(4-piperidyl)quinoline-3-carboxylic acid Formula: C21H18F2N2O3 MolecularWeight: 384.376026

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

C1CNCCC1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C21H18F2N2O3/c22-13-1-3-14(4-2-13)25-11-17(21(27)28)20(26)16-9-18(23)15(10-19(16)25)12-5-7-24-8-6-12/h1-4,9-12,24H,5-8H2,(H,27,28)