tert-butyl 4-[2-fluoranyl-4-(5-oxidanylidene-2H-1,2-oxazol-4-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-(5-oxidanylidene-2H-1,2-oxazol-4-yl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-(5-oxo-2H-isoxazol-4-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-(5-oxo-2H-isoxazol-4-yl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-(5-oxo-2H-1,2-oxazol-4-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-4-(5-keto-3-isoxazolin-4-yl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22FN3O4 MolecularWeight: 363.383383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=CNOC3=O)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=CNOC3=O)F

InChI

InChI=1S/C18H22FN3O4/c1-18(2,3)25-17(24)22-8-6-21(7-9-22)15-5-4-12(10-14(15)19)13-11-20-26-16(13)23/h4-5,10-11,20H,6-9H2,1-3H3