3-(5-chloranylpyridin-3-yl)-8-(1-cyano-1-oxidanyl-2-phenyl-propan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile

Systemtic Name: 3-(5-chloranylpyridin-3-yl)-8-(1-cyano-1-oxidanyl-2-phenyl-propan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Openeye Name: 3-(5-chloro-3-pyridyl)-8-(2-cyano-2-hydroxy-1-methyl-1-phenyl-ethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile CAS Name: 3-(5-chloro-3-pyridinyl)-8-(1-cyano-1-hydroxy-2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile IUPAC Name: 3-(5-chloropyridin-3-yl)-8-(1-cyano-1-hydroxy-2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Traditional Name: 3-(5-chloro-3-pyridyl)-8-(2-cyano-2-hydroxy-1-methyl-1-phenyl-ethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Formula: C23H23ClN4O MolecularWeight: 406.90792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(C#N)O)N2C3CCC2CC(C3)(C#N)C4=CC(=CN=C4)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)(C(C#N)O)N2C3CCC2CC(C3)(C#N)C4=CC(=CN=C4)Cl

InChI

InChI=1S/C23H23ClN4O/c1-22(21(29)12-25,16-5-3-2-4-6-16)28-19-7-8-20(28)11-23(10-19,15-26)17-9-18(24)14-27-13-17/h2-6,9,13-14,19-21,29H,7-8,10-11H2,1H3