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

Systemtic Name: tert-butyl 3-oxidanylidene-4-(3-pyridin-3-ylphenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-oxo-4-[3-(3-pyridyl)phenyl]piperazine-1-carboxylate CAS Name: 3-oxo-4-[3-(3-pyridinyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-4-(3-pyridin-3-ylphenyl)piperazine-1-carboxylate Traditional Name: 3-keto-4-[3-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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