1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-yl]quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazinyl]-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazino]quinoline-3-carboxylate Formula: C21H23FN3O5- MolecularWeight: 416.422823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4CCCO4)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)[C@@H]4CCCO4)F)C(=O)[O-]

InChI

InChI=1S/C21H24FN3O5/c1-2-23-12-14(21(28)29)19(26)13-10-15(22)17(11-16(13)23)24-5-7-25(8-6-24)20(27)18-4-3-9-30-18/h10-12,18H,2-9H2,1H3,(H,28,29)/p-1/t18-/m0/s1