tert-butyl (1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl) carbonate

Systemtic Name: tert-butyl (1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl) carbonate Openeye Name: tert-butyl (1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-3-quinolyl) carbonate CAS Name: carbonic acid tert-butyl [1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinyl] ester IUPAC Name: tert-butyl (1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl) carbonate Traditional Name: carbonic acid tert-butyl (1-cyclopropyl-6-fluoro-4-keto-7-piperazino-3-quinolyl) ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)OC1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4

InChI

InChI=1S/C21H26FN3O4/c1-21(2,3)29-20(27)28-18-12-25(13-4-5-13)16-11-17(24-8-6-23-7-9-24)15(22)10-14(16)19(18)26/h10-13,23H,4-9H2,1-3H3