6-fluoranyl-1-(3-fluoranylpyridin-4-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(3-fluoranylpyridin-4-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(3-fluoro-4-pyridyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(3-fluoropyridin-4-yl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(3-fluoro-4-pyridyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C19H16F2N4O3 MolecularWeight: 386.352146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=NC=C4)F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=NC=C4)F)F

InChI

InChI=1S/C19H16F2N4O3/c20-13-7-11-16(8-17(13)24-5-3-22-4-6-24)25(10-12(18(11)26)19(27)28)15-1-2-23-9-14(15)21/h1-2,7-10,22H,3-6H2,(H,27,28)