tert-butyl 3-oxidanylidene-4-(3-pyridin-2-ylphenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-4-(3-pyridin-2-ylphenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-oxo-4-[3-(2-pyridyl)phenyl]piperazine-1-carboxylate CAS Name: 3-oxo-4-[3-(2-pyridinyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-4-(3-pyridin-2-ylphenyl)piperazine-1-carboxylate Traditional Name: 3-keto-4-[3-(2-pyridyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC(=C2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC(=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)22-11-12-23(18(24)14-22)16-8-6-7-15(13-16)17-9-4-5-10-21-17/h4-10,13H,11-12,14H2,1-3H3