6-fluoranyl-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 6-fluoro-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 6-fluoro-2-phenyl-3-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 6-fluoro-2-phenyl-3-(piperazinomethyl)cinchoninic acid Formula: C21H20FN3O2 MolecularWeight: 365.400803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

InChI

InChI=1S/C21H20FN3O2/c22-15-6-7-18-16(12-15)19(21(26)27)17(13-25-10-8-23-9-11-25)20(24-18)14-4-2-1-3-5-14/h1-7,12,23H,8-11,13H2,(H,26,27)