3-[4-(4-pentylphenyl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(4-pentylphenyl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(4-pentylphenyl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(4-pentylphenyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(4-pentylphenyl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(4-amylphenyl)phenyl]propiolonitrile Formula: C20H19N MolecularWeight: 273.37156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C20H19N/c1-2-3-4-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-5-16-21/h8-15H,2-4,6H2,1H3