tert-butyl 4-[1-ethyl-6-fluoranyl-3-(hexylcarbamoyl)-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-ethyl-6-fluoranyl-3-(hexylcarbamoyl)-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-ethyl-6-fluoro-3-(hexylcarbamoyl)-4-oxo-7-quinolyl]piperazine-1-carboxylate CAS Name: 4-[1-ethyl-6-fluoro-3-[(hexylamino)-oxomethyl]-4-oxo-7-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-ethyl-6-fluoro-3-(hexylcarbamoyl)-4-oxoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[1-ethyl-6-fluoro-3-(hexylcarbamoyl)-4-keto-7-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H39FN4O4 MolecularWeight: 502.621363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCCCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C27H39FN4O4/c1-6-8-9-10-11-29-25(34)20-18-30(7-2)22-17-23(21(28)16-19(22)24(20)33)31-12-14-32(15-13-31)26(35)36-27(3,4)5/h16-18H,6-15H2,1-5H3,(H,29,34)