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

Systemtic Name: (2-tert-butylcyclohexyl) 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: (2-tert-butylcyclohexyl) 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-tert-butylcyclohexyl) ester IUPAC Name: (2-tert-butylcyclohexyl) 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 (2-tert-butylcyclohexyl) ester Formula: C27H37N5O2 MolecularWeight: 463.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1OC(=O)N2CCN(CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

Isomeric SMILES

CC(C)(C)C1CCCCC1OC(=O)N2CCN(CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

InChI

InChI=1S/C27H37N5O2/c1-27(2,3)22-6-4-5-7-25(22)34-26(33)32-14-12-31(13-15-32)24(23-18-29-19-30-23)16-20-8-10-21(17-28)11-9-20/h8-11,18-19,22,24-25H,4-7,12-16H2,1-3H3,(H,29,30)