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

Systemtic Name: 2,2-dimethylpropyl 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: 2,2-dimethylpropyl 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 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 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 neopentyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-22(2,3)15-29-21(28)27-10-8-26(9-11-27)20(19-14-24-16-25-19)12-17-4-6-18(13-23)7-5-17/h4-7,14,16,20H,8-12,15H2,1-3H3,(H,24,25)