7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-acetylphenyl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-acetylphenyl)-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-acetylphenyl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-acetylphenyl)-7-[(3R,5S)-3,5-dimethylpiperazino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H26FN3O5 MolecularWeight: 467.489443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C(=O)C)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C(=O)C)F

InChI

InChI=1S/C25H26FN3O5/c1-13-10-28(11-14(2)27-13)22-20(26)9-18-21(24(22)34-4)29(12-19(23(18)31)25(32)33)17-7-5-16(6-8-17)15(3)30/h5-9,12-14,27H,10-11H2,1-4H3,(H,32,33)/t13-,14+