1-cyclopropyl-6-fluoranyl-7-(4-methyl-3-thiophen-3-yl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-(4-methyl-3-thiophen-3-yl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-methyl-3-(3-thienyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-methyl-3-(3-thiophenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-(4-methyl-3-thiophen-3-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-methyl-3-(3-thienyl)piperazino]quinoline-3-carboxylic acid Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C2=CSC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CN1CCN(CC1C2=CSC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C22H22FN3O3S/c1-24-5-6-25(11-20(24)13-4-7-30-12-13)19-9-18-15(8-17(19)23)21(27)16(22(28)29)10-26(18)14-2-3-14/h4,7-10,12,14,20H,2-3,5-6,11H2,1H3,(H,28,29)