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

Systemtic Name: 1-ethyl-7-(3-ethynylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-(3-ethynylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-(3-ethynyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-(3-ethynylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-7-(3-ethynylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H18FN3O3 MolecularWeight: 343.352223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C#C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C#C)F)C(=O)O

InChI

InChI=1S/C18H18FN3O3/c1-3-11-9-22(6-5-20-11)16-8-15-12(7-14(16)19)17(23)13(18(24)25)10-21(15)4-2/h1,7-8,10-11,20H,4-6,9H2,2H3,(H,24,25)