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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-heptanoylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-heptanoylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxoheptyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-heptanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-enanthylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H30FN3O4 MolecularWeight: 431.500403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O4/c1-3-5-6-7-8-21(28)27-11-9-26(10-12-27)20-14-19-16(13-18(20)24)22(29)17(23(30)31)15-25(19)4-2/h13-15H,3-12H2,1-2H3,(H,30,31)