tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-fluoranylethyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-fluoranylethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-fluoroethyl)-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-(3-chlorophenyl)-2-(2-fluoroethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-fluoroethyl)-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-4-(3-chlorophenyl)-2-(2-fluoroethyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22ClFN2O3 MolecularWeight: 356.819583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCF)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C[C@@H]1CCF)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H22ClFN2O3/c1-17(2,3)24-16(23)21-11-15(22)20(10-14(21)7-8-19)13-6-4-5-12(18)9-13/h4-6,9,14H,7-8,10-11H2,1-3H3/t14-/m0/s1