tert-butyl 4-[(5-cyanopyridin-2-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-cyanopyridin-2-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5-cyano-2-pyridyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(5-cyano-2-pyridinyl)methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-cyanopyridin-2-yl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[(5-cyano-2-pyridyl)methyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=NC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2=NC=C(C=C2)C#N

InChI

InChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)20-7-6-19(14(21)11-20)10-13-5-4-12(8-17)9-18-13/h4-5,9H,6-7,10-11H2,1-3H3