1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-(1H-pyrrol-3-yl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-(1H-pyrrol-3-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(1H-pyrrol-3-yl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(1H-pyrrol-3-yl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(1H-pyrrol-3-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(1H-pyrrol-3-yl)piperazino]quinoline-3-carboxylic acid Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CNC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CNC=C4)F)C(=O)O

InChI

InChI=1S/C20H21FN4O3/c1-2-24-10-14(20(27)28)19(26)13-7-15(21)18(8-17(13)24)25-6-5-23-16(11-25)12-3-4-22-9-12/h3-4,7-10,16,22-23H,2,5-6,11H2,1H3,(H,27,28)