tert-butyl 4-[cyano(phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[cyano(phenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[cyano(phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[cyano(phenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyano(phenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[cyano(phenyl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-11-9-19(10-12-20)15(13-18)14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3