tert-butyl 4-(2-chloranylpyridin-4-yl)-4-cyano-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranylpyridin-4-yl)-4-cyano-piperidine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-4-pyridyl)-4-cyano-piperidine-1-carboxylate CAS Name: 4-(2-chloro-4-pyridinyl)-4-cyano-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloropyridin-4-yl)-4-cyanopiperidine-1-carboxylate Traditional Name: 4-(2-chloro-4-pyridyl)-4-cyano-piperidine-1-carboxylic acid tert-butyl ester Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC(=NC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-15(2,3)22-14(21)20-8-5-16(11-18,6-9-20)12-4-7-19-13(17)10-12/h4,7,10H,5-6,8-9H2,1-3H3