(4-bromanyl-2-chloranyl-phenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H15BrClN3O2 MolecularWeight: 420.6876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Br)Cl)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Br)Cl)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H15BrClN3O2/c19-14-2-3-16(15(20)9-14)25-18(24)13-5-7-23(8-6-13)17-4-1-12(10-21)11-22-17/h1-4,9,11,13H,5-8H2