4-[4-(4-methylpentyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-methylpentyl)phenyl]benzenecarbonitrile Openeye Name: 4-(4-isohexylphenyl)benzonitrile CAS Name: 4-[4-(4-methylpentyl)phenyl]benzonitrile IUPAC Name: 4-[4-(4-methylpentyl)phenyl]benzonitrile Traditional Name: 4-(4-isohexylphenyl)benzonitrile Formula: C19H21N MolecularWeight: 263.37674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21N/c1-15(2)4-3-5-16-6-10-18(11-7-16)19-12-8-17(14-20)9-13-19/h6-13,15H,3-5H2,1-2H3