4-[2-[4-(4-pentylphenyl)cyclohexen-1-yl]ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-pentylphenyl)cyclohexen-1-yl]ethynyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-pentylphenyl)cyclohexen-1-yl]ethynyl]benzonitrile CAS Name: 4-[2-[4-(4-pentylphenyl)-1-cyclohexenyl]ethynyl]benzonitrile IUPAC Name: 4-[2-[4-(4-pentylphenyl)cyclohexen-1-yl]ethynyl]benzonitrile Traditional Name: 4-[2-[4-(4-amylphenyl)cyclohexen-1-yl]ethynyl]benzonitrile Formula: C26H27N MolecularWeight: 353.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H27N/c1-2-3-4-5-21-12-16-25(17-13-21)26-18-14-23(15-19-26)7-6-22-8-10-24(20-27)11-9-22/h8-14,16-17,26H,2-5,15,18-19H2,1H3