6-fluoranyl-4-oxidanylidene-1-(1-phenylethyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

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