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

Systemtic Name: 5-fluoranyl-3-[(2-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 5-fluoro-3-[(2-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 5-fluoro-3-[(2-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 5-fluoro-3-[(2-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 5-fluoro-3-[(2-ketopiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1)CC2=C(N=C3C=CC=C(C3=C2C(=O)O)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)CN1)CC2=C(N=C3C=CC=C(C3=C2C(=O)O)F)C4=CC=CC=C4

InChI

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