tert-butyl 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-(phenylcarbonyl)imidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-but-2-ynyl-5-ethoxycarbonyl-4-(phenylcarbonyl)imidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-benzoyl-1-but-2-ynyl-5-ethoxycarbonyl-imidazol-2-yl)piperazine-1-carboxylate CAS Name: 4-(4-benzoyl-1-but-2-ynyl-5-ethoxycarbonyl-2-imidazolyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-benzoyl-1-but-2-ynyl-5-ethoxycarbonylimidazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-benzoyl-1-but-2-ynyl-5-carbethoxy-imidazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O5 MolecularWeight: 480.55608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O5/c1-6-8-14-30-21(23(32)34-7-2)20(22(31)19-12-10-9-11-13-19)27-24(30)28-15-17-29(18-16-28)25(33)35-26(3,4)5/h9-13H,7,14-18H2,1-5H3