2-[4-(4-heptylphenyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(4-heptylphenyl)phenyl]ethanenitrile Openeye Name: 2-[4-(4-heptylphenyl)phenyl]acetonitrile CAS Name: 2-[4-(4-heptylphenyl)phenyl]acetonitrile IUPAC Name: 2-[4-(4-heptylphenyl)phenyl]acetonitrile Traditional Name: 2-[4-(4-heptylphenyl)phenyl]acetonitrile Formula: C21H25N MolecularWeight: 291.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H25N/c1-2-3-4-5-6-7-18-8-12-20(13-9-18)21-14-10-19(11-15-21)16-17-22/h8-15H,2-7,16H2,1H3