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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-methyl-3-(propan-2-yloxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(isopropoxymethyl)-4-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(propan-2-yloxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(propan-2-yloxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(isopropoxymethyl)-4-methyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)COC(C)C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)COC(C)C)C)F)C(=O)O

InChI

InChI=1S/C21H28FN3O4/c1-5-24-11-16(21(27)28)20(26)15-8-17(22)19(9-18(15)24)25-7-6-23(4)14(10-25)12-29-13(2)3/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,27,28)