ethyl 1-cyclopropyl-8-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-8-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-8-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1N3CCN(CC3)C)F)C(=O)C(=CN2C4CC4)C(=O)OCC

Isomeric SMILES

CCC1=C2C(=CC(=C1N3CCN(CC3)C)F)C(=O)C(=CN2C4CC4)C(=O)OCC

InChI

InChI=1S/C22H28FN3O3/c1-4-15-19-16(12-18(23)20(15)25-10-8-24(3)9-11-25)21(27)17(22(28)29-5-2)13-26(19)14-6-7-14/h12-14H,4-11H2,1-3H3