tert-butyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-2,5-dimethyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-2,5-dimethyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-2,5-dimethyl-piperazine-1-carboxylate CAS Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-2,5-dimethyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-2,5-dimethylpiperazine-1-carboxylate Traditional Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-2,5-dimethyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)OC(C)(C)C)C)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

Isomeric SMILES

CC1CN(C(CN1C(=O)OC(C)(C)C)C)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

InChI

InChI=1S/C23H31N5O2/c1-16-14-28(22(29)30-23(3,4)5)17(2)13-27(16)21(20-12-25-15-26-20)10-18-6-8-19(11-24)9-7-18/h6-9,12,15-17,21H,10,13-14H2,1-5H3,(H,25,26)