tert-butyl 3-[2-(3-phenethylimidazol-4-yl)ethylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(3-phenethylimidazol-4-yl)ethylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-[2-(3-phenethylimidazol-4-yl)ethylcarbamoyl]piperazine-1-carboxylate CAS Name: 3-[oxo-[2-(3-phenethyl-4-imidazolyl)ethylamino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(3-phenethylimidazol-4-yl)ethylcarbamoyl]piperazine-1-carboxylate Traditional Name: 3-[2-(3-phenethylimidazol-4-yl)ethylcarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)NCCC2=CN=CN2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)NCCC2=CN=CN2CCC3=CC=CC=C3

InChI

InChI=1S/C23H33N5O3/c1-23(2,3)31-22(30)27-14-12-25-20(16-27)21(29)26-11-9-19-15-24-17-28(19)13-10-18-7-5-4-6-8-18/h4-8,15,17,20,25H,9-14,16H2,1-3H3,(H,26,29)