methyl 1-ethyl-6-fluoranyl-4-oxidanylidene-8-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: methyl 1-ethyl-6-fluoranyl-4-oxidanylidene-8-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: methyl 1-ethyl-6-fluoro-4-oxo-8-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-8-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-6-fluoro-4-oxo-8-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-8-(4-nicotinoylpiperazino)quinoline-3-carboxylic acid methyl ester Formula: C23H23FN4O4 MolecularWeight: 438.451523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=CC(=C21)N3CCN(CC3)C(=O)C4=CN=CC=C4)F)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=CC(=C21)N3CCN(CC3)C(=O)C4=CN=CC=C4)F)C(=O)OC

InChI

InChI=1S/C23H23FN4O4/c1-3-26-14-18(23(31)32-2)21(29)17-11-16(24)12-19(20(17)26)27-7-9-28(10-8-27)22(30)15-5-4-6-25-13-15/h4-6,11-14H,3,7-10H2,1-2H3