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

Systemtic Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-methyl-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-(3-chlorophenyl)-2-methyl-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-methyl-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-4-(3-chlorophenyl)-5-keto-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21ClN2O3 MolecularWeight: 324.80254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@H]1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H21ClN2O3/c1-11-9-19(13-7-5-6-12(17)8-13)14(20)10-18(11)15(21)22-16(2,3)4/h5-8,11H,9-10H2,1-4H3/t11-/m0/s1