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

Systemtic Name: 2,2-dimethylpentan-3-yl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (1-ethyl-2,2-dimethyl-propyl) 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 2,2-dimethylpentan-3-yl ester IUPAC Name: 2,2-dimethylpentan-3-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-ethyl-2,2-dimethyl-propyl) ester Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2/c1-5-22(24(2,3)4)31-23(30)28-12-10-27(11-13-28)17-21-15-26-18-29(21)16-20-8-6-19(14-25)7-9-20/h6-9,15,18,22H,5,10-13,16-17H2,1-4H3