4-(4-butyl-2-methyl-phenyl)benzenecarbonitrile

Systemtic Name: 4-(4-butyl-2-methyl-phenyl)benzenecarbonitrile Openeye Name: 4-(4-butyl-2-methyl-phenyl)benzonitrile CAS Name: 4-(4-butyl-2-methylphenyl)benzonitrile IUPAC Name: 4-(4-butyl-2-methylphenyl)benzonitrile Traditional Name: 4-(4-butyl-2-methyl-phenyl)benzonitrile Formula: C18H19N MolecularWeight: 249.35016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H19N/c1-3-4-5-15-8-11-18(14(2)12-15)17-9-6-16(13-19)7-10-17/h6-12H,3-5H2,1-2H3