1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pentylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pentylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(4-pentylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(4-pentyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-pentylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 7-(4-amylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C21H28FN3O3/c1-3-5-6-7-23-8-10-25(11-9-23)19-13-18-15(12-17(19)22)20(26)16(21(27)28)14-24(18)4-2/h12-14H,3-11H2,1-2H3,(H,27,28)