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

Systemtic Name: 3,3-dimethylbutyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: 3,3-dimethylbutyl 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-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 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-dimethylbutyl ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-23(2,3)8-13-30-22(29)27-11-9-26(10-12-27)17-21-15-25-18-28(21)16-20-6-4-19(14-24)5-7-20/h4-7,15,18H,8-13,16-17H2,1-3H3