tert-butyl 4-[1-but-2-ynyl-4-[cyano(oxidanyl)methyl]-5-methoxycarbonyl-imidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-but-2-ynyl-4-[cyano(oxidanyl)methyl]-5-methoxycarbonyl-imidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-but-2-ynyl-4-[cyano(hydroxy)methyl]-5-methoxycarbonyl-imidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-but-2-ynyl-4-[cyano(hydroxy)methyl]-5-methoxycarbonyl-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-but-2-ynyl-4-[cyano(hydroxy)methyl]-5-methoxycarbonylimidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-but-2-ynyl-5-carbomethoxy-4-[cyano(hydroxy)methyl]imidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C(C#N)O)C(=O)OC

Isomeric SMILES

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C(C#N)O)C(=O)OC

InChI

InChI=1S/C20H27N5O5/c1-6-7-8-25-16(17(27)29-5)15(14(26)13-21)22-18(25)23-9-11-24(12-10-23)19(28)30-20(2,3)4/h14,26H,8-12H2,1-5H3