1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pentanoylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pentanoylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(4-pentanoylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxopentyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-pentanoylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-valerylpiperazino)quinoline-3-carboxylic acid Formula: C21H26FN3O4 MolecularWeight: 403.447243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C21H26FN3O4/c1-3-5-6-19(26)25-9-7-24(8-10-25)18-12-17-14(11-16(18)22)20(27)15(21(28)29)13-23(17)4-2/h11-13H,3-10H2,1-2H3,(H,28,29)