1-tert-butyl-7-(3-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(3-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(3-ethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(3-ethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(3-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(3-ethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H26FN3O3 MolecularWeight: 375.437143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

Isomeric SMILES

CCC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F

InChI

InChI=1S/C20H26FN3O3/c1-5-12-10-23(7-6-22-12)17-9-16-13(8-15(17)21)18(25)14(19(26)27)11-24(16)20(2,3)4/h8-9,11-12,22H,5-7,10H2,1-4H3,(H,26,27)