8-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 8-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 8-fluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 8-fluoro-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 8-fluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 8-fluoro-3-[(3-ketopiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(N=C3C(=C2C(=O)O)C=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(N=C3C(=C2C(=O)O)C=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C21H18FN3O3/c22-16-8-4-7-14-18(21(27)28)15(11-25-10-9-23-17(26)12-25)19(24-20(14)16)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,23,26)(H,27,28)