tert-butyl 4-[1-(4-cyanophenyl)-2-methoxy-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-cyanophenyl)-2-methoxy-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-cyanophenyl)-2-methoxy-2-oxo-ethyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[1-(4-cyanophenyl)-2-methoxy-2-oxoethyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-cyanophenyl)-2-methoxy-2-oxoethyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[1-(4-cyanophenyl)-2-keto-2-methoxy-ethyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C(C2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C(C2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)21-9-10-22(15(23)12-21)16(17(24)26-4)14-7-5-13(11-20)6-8-14/h5-8,16H,9-10,12H2,1-4H3