tert-butyl 4-(4-pyridin-2-ylphenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-pyridin-2-ylphenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-pyridyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(2-pyridinyl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-pyridin-2-ylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-[4-(2-pyridyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C21H25N3O3/c1-21(2,3)27-20(26)24-14-12-23(13-15-24)19(25)17-9-7-16(8-10-17)18-6-4-5-11-22-18/h4-11H,12-15H2,1-3H3