tert-butyl 4-(2-fluoranyl-4-isocyano-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-fluoranyl-4-isocyano-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-fluoro-4-isocyano-phenyl)piperazine-1-carboxylate CAS Name: 4-(2-fluoro-4-isocyanophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-fluoro-4-isocyanophenyl)piperazine-1-carboxylate Traditional Name: 4-(2-fluoro-4-isocyano-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20FN3O2 MolecularWeight: 305.347303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+]#[C-])F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+]#[C-])F

InChI

InChI=1S/C16H20FN3O2/c1-16(2,3)22-15(21)20-9-7-19(8-10-20)14-6-5-12(18-4)11-13(14)17/h5-6,11H,7-10H2,1-3H3