1-(1,3-benzodioxol-5-yl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H20FN3O5 MolecularWeight: 425.409703

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C22H20FN3O5/c1-24-4-6-25(7-5-24)18-10-17-14(9-16(18)23)21(27)15(22(28)29)11-26(17)13-2-3-19-20(8-13)31-12-30-19/h2-3,8-11H,4-7,12H2,1H3,(H,28,29)