zinc 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: zinc 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: zinc 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: zinc 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate IUPAC Name: zinc 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: zinc 1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylate Formula: C32H34F2N6O6Zn MolecularWeight: 702.054766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].[Zn+2]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].[Zn+2]

InChI

InChI=1S/2C16H18FN3O3.Zn/c2*1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;/h2*7-9,18H,2-6H2,1H3,(H,22,23);/q;;+2/p-2