ethyl 1-(1-ethoxy-3-methyl-1-oxidanylidene-pentan-2-yl)-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(1-ethoxy-3-methyl-1-oxidanylidene-pentan-2-yl)-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(1-ethoxycarbonyl-2-methyl-butyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-(1-ethoxy-3-methyl-1-oxopentan-2-yl)-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethoxy-3-methyl-1-oxopentan-2-yl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-(1-carbethoxy-2-methyl-butyl)-6,8-difluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C25H33F2N3O5 MolecularWeight: 493.543426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C)F)C(=O)OCC

Isomeric SMILES

CCC(C)C(C(=O)OCC)N1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C)F)C(=O)OCC

InChI

InChI=1S/C25H33F2N3O5/c1-6-15(4)20(25(33)35-8-3)30-14-17(24(32)34-7-2)23(31)16-13-18(26)22(19(27)21(16)30)29-11-9-28(5)10-12-29/h13-15,20H,6-12H2,1-5H3