tert-butyl 4-[cyanomethylcarbamoyl(2-cyclohexylethyl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[cyanomethylcarbamoyl(2-cyclohexylethyl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[cyanomethylcarbamoyl(2-cyclohexylethyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[(cyanomethylamino)-oxomethyl]-(2-cyclohexylethyl)amino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyanomethylcarbamoyl(2-cyclohexylethyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[cyanomethylcarbamoyl(2-cyclohexylethyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H35N5O4 MolecularWeight: 421.5337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(CCC2CCCCC2)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N(CCC2CCCCC2)C(=O)NCC#N

InChI

InChI=1S/C21H35N5O4/c1-21(2,3)30-20(29)25-15-13-24(14-16-25)19(28)26(18(27)23-11-10-22)12-9-17-7-5-4-6-8-17/h17H,4-9,11-16H2,1-3H3,(H,23,27)