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

Systemtic Name: (3-methylcyclohexyl) 4-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]piperazine-1-carboxylate Openeye Name: (3-methylcyclohexyl) 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-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 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-methylcyclohexyl) ester Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)N2CCN(CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

Isomeric SMILES

CC1CCCC(C1)OC(=O)N2CCN(CC2)C(CC3=CC=C(C=C3)C#N)C4=CN=CN4

InChI

InChI=1S/C24H31N5O2/c1-18-3-2-4-21(13-18)31-24(30)29-11-9-28(10-12-29)23(22-16-26-17-27-22)14-19-5-7-20(15-25)8-6-19/h5-8,16-18,21,23H,2-4,9-14H2,1H3,(H,26,27)