tert-butyl 4-[4-but-2-ynyl-5-(diethoxymethyl)-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-but-2-ynyl-5-(diethoxymethyl)-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-but-2-ynyl-5-(diethoxymethyl)-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[4-but-2-ynyl-5-(diethoxymethyl)-2-(methoxymethyl)-3-pyrazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-but-2-ynyl-5-(diethoxymethyl)-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[4-but-2-ynyl-5-(diethoxymethyl)-2-(methoxymethyl)pyrazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H38N4O5 MolecularWeight: 450.57162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NN(C(=C1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)COC)OCC

Isomeric SMILES

CCOC(C1=NN(C(=C1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)COC)OCC

InChI

InChI=1S/C23H38N4O5/c1-8-11-12-18-19(21(30-9-2)31-10-3)24-27(17-29-7)20(18)25-13-15-26(16-14-25)22(28)32-23(4,5)6/h21H,9-10,12-17H2,1-7H3