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

Systemtic Name: 6-fluoranyl-1-(4-methylphenyl)-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-2-piperazin-1-yl-1-(p-tolyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-methylphenyl)-4-oxo-2-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-methylphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-2-piperazino-1-(p-tolyl)quinoline-3-carboxylic acid Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)F)C(=O)C(=C2N4CCNCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)F)C(=O)C(=C2N4CCNCC4)C(=O)O

InChI

InChI=1S/C21H20FN3O3/c1-13-2-5-15(6-3-13)25-17-7-4-14(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)