tert-butyl 4-[(3R)-1-(3-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R)-1-(3-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3R)-1-(3-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3R)-1-(3-chlorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3R)-1-(3-chlorophenyl)-5-keto-pyrrolidine-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@@H]2CC(=O)N(C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H26ClN3O4/c1-20(2,3)28-19(27)23-9-7-22(8-10-23)18(26)14-11-17(25)24(13-14)16-6-4-5-15(21)12-16/h4-6,12,14H,7-11,13H2,1-3H3/t14-/m1/s1