1-ethyl-6-fluoranyl-7-[3-(2-methylpyrazol-3-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(2-methylpyrazol-3-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(2-methylpyrazol-3-yl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(2-methyl-3-pyrazolyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(2-methylpyrazol-3-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(2-methylpyrazol-3-yl)piperazino]quinoline-3-carboxylic acid Formula: C20H22FN5O3 MolecularWeight: 399.418783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC=NN4C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC=NN4C)F)C(=O)O

InChI

InChI=1S/C20H22FN5O3/c1-3-25-10-13(20(28)29)19(27)12-8-14(21)18(9-17(12)25)26-7-6-22-15(11-26)16-4-5-23-24(16)2/h4-5,8-10,15,22H,3,6-7,11H2,1-2H3,(H,28,29)