tert-butyl 4-[2,5-bis(fluoranyl)-4-isocyano-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,5-bis(fluoranyl)-4-isocyano-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,5-difluoro-4-isocyano-phenyl)piperazine-1-carboxylate CAS Name: 4-(2,5-difluoro-4-isocyanophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,5-difluoro-4-isocyanophenyl)piperazine-1-carboxylate Traditional Name: 4-(2,5-difluoro-4-isocyano-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H19F2N3O2 MolecularWeight: 323.337766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F2N3O2/c1-16(2,3)23-15(22)21-7-5-20(6-8-21)14-10-11(17)13(19-4)9-12(14)18/h9-10H,5-8H2,1-3H3