3-(5-chloranylpyridin-2-yl)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-6-carbonitrile

Systemtic Name: 3-(5-chloranylpyridin-2-yl)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-6-carbonitrile Openeye Name: 8-benzyl-3-(5-chloro-2-pyridyl)-8-azabicyclo[3.2.1]octane-6-carbonitrile CAS Name: 3-(5-chloro-2-pyridinyl)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-6-carbonitrile IUPAC Name: 8-benzyl-3-(5-chloropyridin-2-yl)-8-azabicyclo[3.2.1]octane-6-carbonitrile Traditional Name: 8-benzyl-3-(5-chloro-2-pyridyl)-8-azabicyclo[3.2.1]octane-6-carbonitrile Formula: C20H20ClN3 MolecularWeight: 337.8459

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2C(CC1N2CC3=CC=CC=C3)C#N)C4=NC=C(C=C4)Cl

Isomeric SMILES

C1C(CC2C(CC1N2CC3=CC=CC=C3)C#N)C4=NC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3/c21-17-6-7-19(23-12-17)15-8-18-9-16(11-22)20(10-15)24(18)13-14-4-2-1-3-5-14/h1-7,12,15-16,18,20H,8-10,13H2