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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(3-hydroxyphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(3-hydroxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(3-hydroxyphenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(3-hydroxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[3-(3-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(=CC=C5)O)F)C(=O)O

Isomeric SMILES

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

InChI

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