1-(4-heptylphenyl)cyclohexa-2,4-diene-1-carbonitrile

Systemtic Name: 1-(4-heptylphenyl)cyclohexa-2,4-diene-1-carbonitrile Openeye Name: 1-(4-heptylphenyl)cyclohexa-2,4-diene-1-carbonitrile CAS Name: 1-(4-heptylphenyl)-1-cyclohexa-2,4-dienecarbonitrile IUPAC Name: 1-(4-heptylphenyl)cyclohexa-2,4-diene-1-carbonitrile Traditional Name: 1-(4-heptylphenyl)cyclohexa-2,4-diene-1-carbonitrile Formula: C20H25N MolecularWeight: 279.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N/c1-2-3-4-5-7-10-18-11-13-19(14-12-18)20(17-21)15-8-6-9-16-20/h6,8-9,11-15H,2-5,7,10,16H2,1H3