ethyl 4-[6-fluoranyl-3-(furan-2-ylmethylcarbamoyl)-1-hexyl-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-fluoranyl-3-(furan-2-ylmethylcarbamoyl)-1-hexyl-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-fluoro-3-(2-furylmethylcarbamoyl)-1-hexyl-4-oxo-7-quinolyl]piperazine-1-carboxylate CAS Name: 4-[6-fluoro-3-[(2-furanylmethylamino)-oxomethyl]-1-hexyl-4-oxo-7-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-fluoro-3-(furan-2-ylmethylcarbamoyl)-1-hexyl-4-oxoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[6-fluoro-3-(2-furfurylcarbamoyl)-1-hexyl-4-keto-7-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H35FN4O5 MolecularWeight: 526.599703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)NCC4=CC=CO4

Isomeric SMILES

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C28H35FN4O5/c1-3-5-6-7-10-33-19-22(27(35)30-18-20-9-8-15-38-20)26(34)21-16-23(29)25(17-24(21)33)31-11-13-32(14-12-31)28(36)37-4-2/h8-9,15-17,19H,3-7,10-14,18H2,1-2H3,(H,30,35)