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

Systemtic Name: (3,3-dimethylcyclohexyl) 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: (3,3-dimethylcyclohexyl) 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-dimethylcyclohexyl) ester IUPAC Name: (3,3-dimethylcyclohexyl) 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-dimethylcyclohexyl) ester Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)OC(=O)N2CCN(CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4)C

Isomeric SMILES

CC1(CCCC(C1)OC(=O)N2CCN(CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4)C

InChI

InChI=1S/C25H33N5O2/c1-25(2)9-3-4-21(15-25)32-24(31)30-12-10-29(11-13-30)23(22-17-27-18-28-22)14-19-5-7-20(16-26)8-6-19/h5-8,17-18,21,23H,3-4,9-15H2,1-2H3,(H,27,28)