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

Systemtic Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3R,5S)-3,5-dimethylpiperazino]-6-fluoro-1-(4-hydroxyphenyl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H24FN3O5 MolecularWeight: 441.452163

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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)O)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)O)F

InChI

InChI=1S/C23H24FN3O5/c1-12-9-26(10-13(2)25-12)20-18(24)8-16-19(22(20)32-3)27(11-17(21(16)29)23(30)31)14-4-6-15(28)7-5-14/h4-8,11-13,25,28H,9-10H2,1-3H3,(H,30,31)/t12-,13+