1-cyclopropyl-7-(4-ethyl-3-phenyl-piperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(4-ethyl-3-phenyl-piperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4-ethyl-3-phenyl-piperazin-1-yl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4-ethyl-3-phenyl-1-piperazinyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4-ethyl-3-phenylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4-ethyl-3-phenyl-piperazino)-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H25F2N3O3 MolecularWeight: 453.481106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H25F2N3O3/c1-2-28-10-11-29(14-20(28)15-6-4-3-5-7-15)23-19(26)12-17-22(21(23)27)30(16-8-9-16)13-18(24(17)31)25(32)33/h3-7,12-13,16,20H,2,8-11,14H2,1H3,(H,32,33)