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

Systemtic Name: 7-(4-butyl-3-phenyl-piperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-butyl-3-phenyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-butyl-3-phenyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-butyl-3-phenylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-butyl-3-phenyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H30FN3O3 MolecularWeight: 463.543803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CCCCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C27H30FN3O3/c1-2-3-11-29-12-13-30(17-25(29)18-7-5-4-6-8-18)24-15-23-20(14-22(24)28)26(32)21(27(33)34)16-31(23)19-9-10-19/h4-8,14-16,19,25H,2-3,9-13,17H2,1H3,(H,33,34)