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

Systemtic Name: 3-(5-chloranylpyridin-3-yl)-8-(2-phenylbut-3-en-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Openeye Name: 3-(5-chloro-3-pyridyl)-8-(1-methyl-1-phenyl-allyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile CAS Name: 3-(5-chloro-3-pyridinyl)-8-(2-phenylbut-3-en-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile IUPAC Name: 3-(5-chloropyridin-3-yl)-8-(2-phenylbut-3-en-2-yl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Traditional Name: 3-(5-chloro-3-pyridyl)-8-(1-methyl-1-phenyl-allyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile Formula: C23H24ClN3 MolecularWeight: 377.90976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3/c1-3-22(2,17-7-5-4-6-8-17)27-20-9-10-21(27)13-23(12-20,16-25)18-11-19(24)15-26-14-18/h3-8,11,14-15,20-21H,1,9-10,12-13H2,2H3