3,3-dimethylbutanoyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: 3,3-dimethylbutanoyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: 3,3-dimethylbutanoyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-1-piperazinecarboxylic acid (3,3-dimethyl-1-oxobutyl) ester IUPAC Name: 3,3-dimethylbutanoyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylic acid 3,3-dimethylbutanoyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

Isomeric SMILES

CC(C)(C)CC(=O)OC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)C#N)C3=CN=CN3

InChI

InChI=1S/C23H29N5O3/c1-23(2,3)13-21(29)31-22(30)28-10-8-27(9-11-28)20(19-15-25-16-26-19)12-17-4-6-18(14-24)7-5-17/h4-7,15-16,20H,8-13H2,1-3H3,(H,25,26)