tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate CAS Name: 3-[[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate Traditional Name: 3-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H30N6O3 MolecularWeight: 438.5227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)28-11-10-26-20(15-28)21(30)27-9-8-19-13-25-16-29(19)14-18-6-4-17(12-24)5-7-18/h4-7,13,16,20,26H,8-11,14-15H2,1-3H3,(H,27,30)