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

Systemtic Name: 3-(5-chloranylpyridin-3-yl)-8-(1-oxidanylidene-2-phenyl-propan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Openeye Name: 3-(5-chloro-3-pyridyl)-8-(1-methyl-2-oxo-1-phenyl-ethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile CAS Name: 3-(5-chloro-3-pyridinyl)-8-(1-oxo-2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile IUPAC Name: 3-(5-chloropyridin-3-yl)-8-(1-oxo-2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Traditional Name: 3-(5-chloro-3-pyridyl)-8-(2-keto-1-methyl-1-phenyl-ethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O/c1-21(15-27,16-5-3-2-4-6-16)26-19-7-8-20(26)11-22(10-19,14-24)17-9-18(23)13-25-12-17/h2-6,9,12-13,15,19-20H,7-8,10-11H2,1H3