2-(2-fluorophenyl)-3-[(3-oxidanylidenepiperazin-1-yl)methyl]quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4F)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4F)C(=O)O

InChI

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