1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-heptyl-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-heptyl-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-heptyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C20H25N MolecularWeight: 279.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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