tert-butyl 4-[4-cyano-4-(3-methoxyphenyl)cyclohexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-cyano-4-(3-methoxyphenyl)cyclohexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-cyano-4-(3-methoxyphenyl)cyclohexyl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-4-(3-methoxyphenyl)cyclohexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-4-(3-methoxyphenyl)cyclohexyl]piperazine-1-carboxylate Traditional Name: 4-[4-cyano-4-(3-methoxyphenyl)cyclohexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(C#N)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(C#N)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H33N3O3/c1-22(2,3)29-21(27)26-14-12-25(13-15-26)19-8-10-23(17-24,11-9-19)18-6-5-7-20(16-18)28-4/h5-7,16,19H,8-15H2,1-4H3