tert-butyl 4-[2-fluoranyl-4-(isocyanomethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-(isocyanomethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-(isocyanomethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-(isocyanomethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-(isocyanomethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-4-(isocyanomethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22FN3O2 MolecularWeight: 319.373883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)15-6-5-13(12-19-4)11-14(15)18/h5-6,11H,7-10,12H2,1-3H3