1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-pyrazinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-pyrazin-2-ylpiperazino)quinoline-3-carboxylic acid Formula: C21H20FN5O3 MolecularWeight: 409.413603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=NC=CN=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=NC=CN=C5)F)C(=O)O

InChI

InChI=1S/C21H20FN5O3/c22-16-9-14-17(27(13-1-2-13)12-15(20(14)28)21(29)30)10-18(16)25-5-7-26(8-6-25)19-11-23-3-4-24-19/h3-4,9-13H,1-2,5-8H2,(H,29,30)