2,6,6-trimethylheptan-2-yl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: 2,6,6-trimethylheptan-2-yl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: 1,1,5,5-tetramethylhexyl 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 2,6,6-trimethylheptan-2-yl ester IUPAC Name: 2,6,6-trimethylheptan-2-yl 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 1,1,5,5-tetramethylhexyl ester Formula: C27H39N5O2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)CCCC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H39N5O2/c1-26(2,3)11-6-12-27(4,5)34-25(33)31-15-13-30(14-16-31)20-24-18-29-21-32(24)19-23-9-7-22(17-28)8-10-23/h7-10,18,21H,6,11-16,19-20H2,1-5H3