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

Systemtic Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,5R)-3,5-dimethylpiperazino]-6-fluoro-1-(4-hydroxyphenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H22FN3O4 MolecularWeight: 411.426183

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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=CC=C(C=C4)O)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=CC=C(C=C4)O)F

InChI

InChI=1S/C22H22FN3O4/c1-12-9-25(10-13(2)24-12)20-8-19-16(7-18(20)23)21(28)17(22(29)30)11-26(19)14-3-5-15(27)6-4-14/h3-8,11-13,24,27H,9-10H2,1-2H3,(H,29,30)/t12-,13+