3-ethyl-2-(3-oxidanylidenepropyl)-2-phenyl-pentanenitrile

Systemtic Name: 3-ethyl-2-(3-oxidanylidenepropyl)-2-phenyl-pentanenitrile Openeye Name: 3-ethyl-2-(3-oxopropyl)-2-phenyl-pentanenitrile CAS Name: 3-ethyl-2-(3-oxopropyl)-2-phenylpentanenitrile IUPAC Name: 3-ethyl-2-(3-oxopropyl)-2-phenylpentanenitrile Traditional Name: 3-ethyl-2-(3-ketopropyl)-2-phenyl-valeronitrile Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCC=O)(C#N)C1=CC=CC=C1

Isomeric SMILES

CCC(CC)C(CCC=O)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO/c1-3-14(4-2)16(13-17,11-8-12-18)15-9-6-5-7-10-15/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3