1-cyclopropyl-6-fluoranyl-8-methoxy-7-(4-methyl-3-phenyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(4-methyl-3-phenyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-methyl-3-phenyl-piperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-methyl-3-phenyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-methyl-3-phenylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(4-methyl-3-phenyl-piperazino)quinoline-3-carboxylic acid Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H26FN3O4/c1-27-10-11-28(14-20(27)15-6-4-3-5-7-15)22-19(26)12-17-21(24(22)33-2)29(16-8-9-16)13-18(23(17)30)25(31)32/h3-7,12-13,16,20H,8-11,14H2,1-2H3,(H,31,32)