4-(2-heptan-2-ylphenyl)benzenecarbonitrile

Systemtic Name: 4-(2-heptan-2-ylphenyl)benzenecarbonitrile Openeye Name: 4-[2-(1-methylhexyl)phenyl]benzonitrile CAS Name: 4-(2-heptan-2-ylphenyl)benzonitrile IUPAC Name: 4-(2-heptan-2-ylphenyl)benzonitrile Traditional Name: 4-[2-(1-methylhexyl)phenyl]benzonitrile Formula: C20H23N MolecularWeight: 277.40332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC=C1C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC(C)C1=CC=CC=C1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H23N/c1-3-4-5-8-16(2)19-9-6-7-10-20(19)18-13-11-17(15-21)12-14-18/h6-7,9-14,16H,3-5,8H2,1-2H3