7-(4-butylpiperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-butylpiperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-butylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-butyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-butylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-butylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H26FN3O3/c1-2-3-6-23-7-9-24(10-8-23)19-12-18-15(11-17(19)22)20(26)16(21(27)28)13-25(18)14-4-5-14/h11-14H,2-10H2,1H3,(H,27,28)