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

Systemtic Name: ethyl 6-fluoranyl-1-(3-fluoranylpyridin-4-yl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-1-(3-fluoro-4-pyridyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-fluoro-1-(3-fluoro-4-pyridinyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-(3-fluoropyridin-4-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-fluoro-1-(3-fluoro-4-pyridyl)-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C22H22F2N4O3 MolecularWeight: 428.431886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)C4=C(C=NC=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)C4=C(C=NC=C4)F

InChI

InChI=1S/C22H22F2N4O3/c1-3-31-22(30)15-13-28(18-4-5-25-12-17(18)24)19-11-20(16(23)10-14(19)21(15)29)27-8-6-26(2)7-9-27/h4-5,10-13H,3,6-9H2,1-2H3