6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

InChI

InChI=1S/C16H16F3N3O3/c17-1-4-22-8-10(16(24)25)15(23)9-7-11(18)14(12(19)13(9)22)21-5-2-20-3-6-21/h7-8,20H,1-6H2,(H,24,25)