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

Systemtic Name: tert-butyl 2-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 2-[(4-fluorophenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 2-[(4-fluorophenyl)methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 2-(4-fluorobenzyl)-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21FN2O3 MolecularWeight: 308.347943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19-9-8-18-14(20)13(19)10-11-4-6-12(17)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,18,20)