1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-(propan-2-yloxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[3-(propan-2-yloxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(isopropoxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(propan-2-yloxymethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[3-(propan-2-yloxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(isopropoxymethyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C20H26FN3O4 MolecularWeight: 391.436543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3O4/c1-4-23-10-15(20(26)27)19(25)14-7-16(21)18(8-17(14)23)24-6-5-22-13(9-24)11-28-12(2)3/h7-8,10,12-13,22H,4-6,9,11H2,1-3H3,(H,26,27)