5-iodanyl-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-iodanyl-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-iodo-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-iodo-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-iodo-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-iodo-2-isopropyl-2-phenyl-valeronitrile Formula: C14H18IN MolecularWeight: 327.20389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCI)(C#N)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(CCCI)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C14H18IN/c1-12(2)14(11-16,9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10H2,1-2H3