tert-butyl 4-[[1-[(4-fluorophenyl)methyl]imidazol-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[(4-fluorophenyl)methyl]imidazol-4-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-[(4-fluorophenyl)methyl]imidazol-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-[(4-fluorophenyl)methyl]-4-imidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[(4-fluorophenyl)methyl]imidazol-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(4-fluorobenzyl)imidazol-4-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27FN4O2 MolecularWeight: 374.452383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CN(C=N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CN(C=N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN4O2/c1-20(2,3)27-19(26)25-10-8-17(9-11-25)23-18-13-24(14-22-18)12-15-4-6-16(21)7-5-15/h4-7,13-14,17,23H,8-12H2,1-3H3