1-cyclopropyl-6-fluoranyl-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-2-[4-(2-furylmethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-2-[4-(2-furanylmethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-2-[4-(2-furfuryl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3)F)C(=O)C(=C2N4CCN(CC4)CC5=CC=CO5)C(=O)O

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3)F)C(=O)C(=C2N4CCN(CC4)CC5=CC=CO5)C(=O)O

InChI

InChI=1S/C22H22FN3O4/c23-14-3-6-18-17(12-14)20(27)19(22(28)29)21(26(18)15-4-5-15)25-9-7-24(8-10-25)13-16-2-1-11-30-16/h1-3,6,11-12,15H,4-5,7-10,13H2,(H,28,29)