tert-butyl 4-[1-but-2-ynyl-5-cyano-4-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]imidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-but-2-ynyl-5-cyano-4-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]imidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(E)-2-(tert-butoxycarbonylamino)vinyl]-1-but-2-ynyl-5-cyano-imidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-but-2-ynyl-5-cyano-4-[(E)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethenyl]-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-but-2-ynyl-5-cyano-4-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]imidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[(E)-2-(tert-butoxycarbonylamino)vinyl]-1-but-2-ynyl-5-cyano-imidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H34N6O4 MolecularWeight: 470.56456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O4/c1-8-9-12-30-19(17-25)18(10-11-26-21(31)33-23(2,3)4)27-20(30)28-13-15-29(16-14-28)22(32)34-24(5,6)7/h10-11H,12-16H2,1-7H3,(H,26,31)/b11-10+