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

Systemtic Name: tert-butyl 4-(1-but-2-ynyl-4-ethanoyl-5-ethoxycarbonyl-imidazol-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-acetyl-1-but-2-ynyl-5-ethoxycarbonyl-imidazol-2-yl)piperazine-1-carboxylate CAS Name: 4-(4-acetyl-1-but-2-ynyl-5-ethoxycarbonyl-2-imidazolyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-acetyl-1-but-2-ynyl-5-ethoxycarbonylimidazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-acetyl-1-but-2-ynyl-5-carbethoxy-imidazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-7-9-10-25-17(18(27)29-8-2)16(15(3)26)22-19(25)23-11-13-24(14-12-23)20(28)30-21(4,5)6/h8,10-14H2,1-6H3