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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(fluoranylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(fluoromethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(fluoromethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[3-(fluoromethyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C18H19F2N3O3 MolecularWeight: 363.358566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F2N3O3/c19-7-10-8-22(4-3-21-10)16-6-15-12(5-14(16)20)17(24)13(18(25)26)9-23(15)11-1-2-11/h5-6,9-11,21H,1-4,7-8H2,(H,25,26)