3-(5-chloranylpyridin-3-yl)-8-(2-cyanopropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile

Systemtic Name: 3-(5-chloranylpyridin-3-yl)-8-(2-cyanopropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Openeye Name: 3-(5-chloro-3-pyridyl)-8-(1-cyano-1-methyl-ethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile CAS Name: 3-(5-chloro-3-pyridinyl)-8-(2-cyanopropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile IUPAC Name: 3-(5-chloropyridin-3-yl)-8-(2-cyanopropan-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Traditional Name: 3-(5-chloro-3-pyridyl)-8-(1-cyano-1-methyl-ethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Formula: C17H19ClN4 MolecularWeight: 314.81256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N1C2CCC1CC(C2)(C#N)C3=CC(=CN=C3)Cl

Isomeric SMILES

CC(C)(C#N)N1C2CCC1CC(C2)(C#N)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C17H19ClN4/c1-16(2,10-19)22-14-3-4-15(22)7-17(6-14,11-20)12-5-13(18)9-21-8-12/h5,8-9,14-15H,3-4,6-7H2,1-2H3