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

Systemtic Name: 6-fluoranyl-1-[(4-methylphenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-(p-tolylmethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(4-methylbenzyl)-7-piperazino-quinoline-3-carboxylic acid Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C22H22FN3O3/c1-14-2-4-15(5-3-14)12-26-13-17(22(28)29)21(27)16-10-18(23)20(11-19(16)26)25-8-6-24-7-9-25/h2-5,10-11,13,24H,6-9,12H2,1H3,(H,28,29)