(2,6-dimethylcyclohexyl)methyl 4-[[3-(cyanomethyl)imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (2,6-dimethylcyclohexyl)methyl 4-[[3-(cyanomethyl)imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (2,6-dimethylcyclohexyl)methyl 4-[[3-(cyanomethyl)imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-(cyanomethyl)-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (2,6-dimethylcyclohexyl)methyl ester IUPAC Name: (2,6-dimethylcyclohexyl)methyl 4-[[3-(cyanomethyl)imidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(cyanomethyl)imidazol-4-yl]methyl]piperazine-1-carboxylic acid (2,6-dimethylcyclohexyl)methyl ester Formula: C20H31N5O2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1COC(=O)N2CCN(CC2)CC3=CN=CN3CC#N)C

Isomeric SMILES

CC1CCCC(C1COC(=O)N2CCN(CC2)CC3=CN=CN3CC#N)C

InChI

InChI=1S/C20H31N5O2/c1-16-4-3-5-17(2)19(16)14-27-20(26)24-10-8-23(9-11-24)13-18-12-22-15-25(18)7-6-21/h12,15-17,19H,3-5,7-11,13-14H2,1-2H3