ethyl 6-fluoranyl-1-(3-fluoranylpyridin-4-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-1-(3-fluoranylpyridin-4-yl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-1-(3-fluoro-4-pyridyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-(3-fluoropyridin-4-yl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 6-fluoro-1-(3-fluoro-4-pyridyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C21H20F2N4O3 MolecularWeight: 414.405306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=NC=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=NC=C4)F

InChI

InChI=1S/C21H20F2N4O3/c1-2-30-21(29)14-12-27(17-3-4-25-11-16(17)23)18-10-19(26-7-5-24-6-8-26)15(22)9-13(18)20(14)28/h3-4,9-12,24H,2,5-8H2,1H3