1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(2-thienyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-thiophen-2-yl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-(2-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C21H19F2N3O3S MolecularWeight: 431.455666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=CS5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=CS5)F)C(=O)O

InChI

InChI=1S/C21H19F2N3O3S/c22-14-8-12-18(26(11-3-4-11)9-13(20(12)27)21(28)29)17(23)19(14)25-6-5-24-15(10-25)16-2-1-7-30-16/h1-2,7-9,11,15,24H,3-6,10H2,(H,28,29)