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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1CCCC(C1)OC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

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