1-cyclopropyl-6-fluoranyl-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(4-hydroxyphenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(4-hydroxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[3-(4-hydroxyphenyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C23H22FN3O4 MolecularWeight: 423.436883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=C(C=C5)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=C(C=C5)O)F)C(=O)O

InChI

InChI=1S/C23H22FN3O4/c24-18-9-16-20(27(14-3-4-14)11-17(22(16)29)23(30)31)10-21(18)26-8-7-25-19(12-26)13-1-5-15(28)6-2-13/h1-2,5-6,9-11,14,19,25,28H,3-4,7-8,12H2,(H,30,31)