tert-butyl 4-(2-cyano-4-methyl-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-cyano-4-methyl-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-cyano-4-methyl-phenyl)piperazine-1-carboxylate CAS Name: 4-(2-cyano-4-methylphenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate Traditional Name: 4-(2-cyano-4-methyl-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C17H23N3O2/c1-13-5-6-15(14(11-13)12-18)19-7-9-20(10-8-19)16(21)22-17(2,3)4/h5-6,11H,7-10H2,1-4H3