(2S)-3-(4-phenylbutanoyl)-3-azabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: (2S)-3-(4-phenylbutanoyl)-3-azabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: (2S)-3-(4-phenylbutanoyl)-3-azabicyclo[2.2.2]octane-2-carbonitrile CAS Name: (2S)-3-(1-oxo-4-phenylbutyl)-3-azabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: (2S)-3-(4-phenylbutanoyl)-3-azabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: (2S)-3-(4-phenylbutanoyl)-3-azabicyclo[2.2.2]octane-2-carbonitrile Formula: C18H22N2O MolecularWeight: 282.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(N2C(=O)CCCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CC2CCC1[C@H](N2C(=O)CCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H22N2O/c19-13-17-15-9-11-16(12-10-15)20(17)18(21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-12H2/t15?,16?,17-/m1/s1