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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-nonanoylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-nonanoylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxononyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-nonanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-pelargonylpiperazino)quinoline-3-carboxylic acid Formula: C25H34FN3O4 MolecularWeight: 459.553563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FN3O4/c1-3-5-6-7-8-9-10-23(30)29-13-11-28(12-14-29)22-16-21-18(15-20(22)26)24(31)19(25(32)33)17-27(21)4-2/h15-17H,3-14H2,1-2H3,(H,32,33)