methyl 7-(4-ethoxycarbonyl-3-methyl-piperazin-1-yl)-1-ethyl-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 7-(4-ethoxycarbonyl-3-methyl-piperazin-1-yl)-1-ethyl-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 7-(4-ethoxycarbonyl-3-methyl-piperazin-1-yl)-1-ethyl-8-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(4-ethoxycarbonyl-3-methyl-1-piperazinyl)-1-ethyl-8-fluoro-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-(4-ethoxycarbonyl-3-methylpiperazin-1-yl)-1-ethyl-8-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-carbethoxy-3-methyl-piperazino)-1-ethyl-8-fluoro-4-keto-quinoline-3-carboxylic acid methyl ester Formula: C21H26FN3O5 MolecularWeight: 419.446643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CCN(C(C3)C)C(=O)OCC)F)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CCN(C(C3)C)C(=O)OCC)F)C(=O)OC

InChI

InChI=1S/C21H26FN3O5/c1-5-23-12-15(20(27)29-4)19(26)14-7-8-16(17(22)18(14)23)24-9-10-25(13(3)11-24)21(28)30-6-2/h7-8,12-13H,5-6,9-11H2,1-4H3