tert-butyl 4-[[5-[(4-cyanophenyl)methyl]imidazol-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-[(4-cyanophenyl)methyl]imidazol-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[(4-cyanophenyl)methyl]imidazol-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[5-[(4-cyanophenyl)methyl]-1-imidazolyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[(4-cyanophenyl)methyl]imidazol-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-cyanobenzyl)imidazol-1-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=NC=C2CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=NC=C2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H28N4O2/c1-22(2,3)28-21(27)25-10-8-19(9-11-25)15-26-16-24-14-20(26)12-17-4-6-18(13-23)7-5-17/h4-7,14,16,19H,8-12,15H2,1-3H3