3-(5-chloranylpyridin-3-yl)-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonane-3-carbonitrile

Systemtic Name: 3-(5-chloranylpyridin-3-yl)-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonane-3-carbonitrile Openeye Name: 9-benzyl-3-(5-chloro-3-pyridyl)-9-azabicyclo[3.3.1]nonane-3-carbonitrile CAS Name: 3-(5-chloro-3-pyridinyl)-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonane-3-carbonitrile IUPAC Name: 9-benzyl-3-(5-chloropyridin-3-yl)-9-azabicyclo[3.3.1]nonane-3-carbonitrile Traditional Name: 9-benzyl-3-(5-chloro-3-pyridyl)-9-azabicyclo[3.3.1]nonane-3-carbonitrile Formula: C21H22ClN3 MolecularWeight: 351.87248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)N2CC3=CC=CC=C3)(C#N)C4=CC(=CN=C4)Cl

Isomeric SMILES

C1CC2CC(CC(C1)N2CC3=CC=CC=C3)(C#N)C4=CC(=CN=C4)Cl

InChI

InChI=1S/C21H22ClN3/c22-18-9-17(12-24-13-18)21(15-23)10-19-7-4-8-20(11-21)25(19)14-16-5-2-1-3-6-16/h1-3,5-6,9,12-13,19-20H,4,7-8,10-11,14H2