1-ethyl-6-fluoranyl-7-[3-(furan-2-yl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(furan-2-yl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(2-furyl)-4-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(2-furanyl)-4-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(furan-2-yl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(2-furyl)-4-methyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C21H22FN3O4 MolecularWeight: 399.415483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=CO4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC=CO4)C)F)C(=O)O

InChI

InChI=1S/C21H22FN3O4/c1-3-24-11-14(21(27)28)20(26)13-9-15(22)17(10-16(13)24)25-7-6-23(2)18(12-25)19-5-4-8-29-19/h4-5,8-11,18H,3,6-7,12H2,1-2H3,(H,27,28)