1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(1H-pyrazol-5-yl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(1H-pyrazol-5-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(1H-pyrazol-5-yl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(1H-pyrazol-5-yl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(1H-pyrazol-5-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(1H-pyrazol-5-yl)piperazino]quinoline-3-carboxylic acid Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=NN5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=NN5)F)C(=O)O

InChI

InChI=1S/C20H20FN5O3/c21-14-7-12-17(26(11-1-2-11)9-13(19(12)27)20(28)29)8-18(14)25-6-5-22-16(10-25)15-3-4-23-24-15/h3-4,7-9,11,16,22H,1-2,5-6,10H2,(H,23,24)(H,28,29)