(3,3-dimethylcyclohexyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (3,3-dimethylcyclohexyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (3,3-dimethylcyclohexyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (3,3-dimethylcyclohexyl) ester IUPAC Name: (3,3-dimethylcyclohexyl) 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]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)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1(CCCC(C1)OC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C

InChI

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