2-(2-azanylethyl)-1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-(2-azanylethyl)-1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 2-(2-aminoethyl)-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 2-(2-aminoethyl)-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-(2-aminoethyl)-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 2-(2-aminoethyl)-1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H23FN4O3 MolecularWeight: 362.398623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C(=C1CCN)C(=O)O)F)N3CCNCC3

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=C1CCN)C(=O)O)F)N3CCNCC3

InChI

InChI=1S/C18H23FN4O3/c1-2-23-13(3-4-20)16(18(25)26)17(24)11-9-12(19)15(10-14(11)23)22-7-5-21-6-8-22/h9-10,21H,2-8,20H2,1H3,(H,25,26)