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

Systemtic Name: propyl 1-ethyl-6-fluoranyl-4-oxidanylidene-8-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C25H27FN4O4 MolecularWeight: 466.504683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN4O4/c1-3-12-34-25(33)20-16-28(4-2)22-19(23(20)31)13-18(26)14-21(22)29-8-10-30(11-9-29)24(32)17-6-5-7-27-15-17/h5-7,13-16H,3-4,8-12H2,1-2H3