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

Systemtic Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-4-oxidanylidene-1-quinolin-3-yl-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1-(3-quinolyl)quinoline-3-carboxylic acid CAS Name: 7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-6-fluoro-4-oxo-1-(3-quinolinyl)-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid Traditional Name: 7-[(3S,5R)-3,5-dimethylpiperazino]-6-fluoro-4-keto-1-(3-quinolyl)quinoline-3-carboxylic acid Formula: C25H23FN4O3 MolecularWeight: 446.473523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

InChI

InChI=1S/C25H23FN4O3/c1-14-11-29(12-15(2)28-14)23-9-22-18(8-20(23)26)24(31)19(25(32)33)13-30(22)17-7-16-5-3-4-6-21(16)27-10-17/h3-10,13-15,28H,11-12H2,1-2H3,(H,32,33)/t14-,15+