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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-(pyrrol-1-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(pyrrol-1-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(1-pyrrolylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(pyrrol-1-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(pyrrol-1-ylmethyl)piperazino]quinoline-3-carboxylic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CN4C=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CN4C=CC=C4)F)C(=O)O

InChI

InChI=1S/C21H23FN4O3/c1-2-25-13-16(21(28)29)20(27)15-9-17(22)19(10-18(15)25)26-8-5-23-14(12-26)11-24-6-3-4-7-24/h3-4,6-7,9-10,13-14,23H,2,5,8,11-12H2,1H3,(H,28,29)