propane; 2-(4-propan-2-ylphenyl)ethanenitrile

Systemtic Name: propane; 2-(4-propan-2-ylphenyl)ethanenitrile Openeye Name: 2-(4-isopropylphenyl)acetonitrile; propane CAS Name: propane; 2-(4-propan-2-ylphenyl)acetonitrile IUPAC Name: propane; 2-(4-propan-2-ylphenyl)acetonitrile Traditional Name: n-propane; 2-p-cumenylacetonitrile Formula: C14H21N MolecularWeight: 203.32324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N.C3H8/c1-9(2)11-5-3-10(4-6-11)7-8-12;1-3-2/h3-6,9H,7H2,1-2H3;3H2,1-2H3