4-(2-pentan-2-ylphenyl)benzenecarbonitrile

Systemtic Name: 4-(2-pentan-2-ylphenyl)benzenecarbonitrile Openeye Name: 4-[2-(1-methylbutyl)phenyl]benzonitrile CAS Name: 4-(2-pentan-2-ylphenyl)benzonitrile IUPAC Name: 4-(2-pentan-2-ylphenyl)benzonitrile Traditional Name: 4-[2-(1-methylbutyl)phenyl]benzonitrile Formula: C18H19N MolecularWeight: 249.35016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N/c1-3-6-14(2)17-7-4-5-8-18(17)16-11-9-15(13-19)10-12-16/h4-5,7-12,14H,3,6H2,1-2H3