6-fluoranyl-1-(4-methoxyphenyl)-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-methoxyphenyl)-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(4-methoxyphenyl)-2-piperazino-quinoline-3-carboxylic acid Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)F)C(=O)C(=C2N4CCNCC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)F)C(=O)C(=C2N4CCNCC4)C(=O)O

InChI

InChI=1S/C21H20FN3O4/c1-29-15-5-3-14(4-6-15)25-17-7-2-13(22)12-16(17)19(26)18(21(27)28)20(25)24-10-8-23-9-11-24/h2-7,12,23H,8-11H2,1H3,(H,27,28)