tert-butyl 2-[(4-fluorophenyl)methyl]-4-methyl-3-oxidanylidene-piperazine-1-carboxylate ethanoate

Systemtic Name: tert-butyl 2-[(4-fluorophenyl)methyl]-4-methyl-3-oxidanylidene-piperazine-1-carboxylate ethanoate Openeye Name: tert-butyl 2-[(4-fluorophenyl)methyl]-4-methyl-3-oxo-piperazine-1-carboxylate acetate CAS Name: 2-[(4-fluorophenyl)methyl]-4-methyl-3-oxo-1-piperazinecarboxylic acid tert-butyl ester acetate IUPAC Name: tert-butyl 2-[(4-fluorophenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxylate acetate Traditional Name: 2-(4-fluorobenzyl)-3-keto-4-methyl-piperazine-1-carboxylic acid tert-butyl ester acetate Formula: C19H26FN2O5- MolecularWeight: 381.418543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=C(C=C2)F)C

Isomeric SMILES

CC(=O)[O-].CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=C(C=C2)F)C

InChI

InChI=1S/C17H23FN2O3.C2H4O2/c1-17(2,3)23-16(22)20-10-9-19(4)15(21)14(20)11-12-5-7-13(18)8-6-12;1-2(3)4/h5-8,14H,9-11H2,1-4H3;1H3,(H,3,4)/p-1