5-heptyl-2-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzenecarbonitrile

Systemtic Name: 5-heptyl-2-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzenecarbonitrile Openeye Name: 5-heptyl-2-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzonitrile CAS Name: 5-heptyl-2-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzonitrile IUPAC Name: 5-heptyl-2-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzonitrile Traditional Name: 2-[2-[4-(4-amylphenyl)cyclohexyl]ethynyl]-5-heptyl-benzonitrile Formula: C33H43N MolecularWeight: 453.70122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C33H43N/c1-3-5-7-8-10-12-29-18-24-32(33(25-29)26-34)23-17-28-15-21-31(22-16-28)30-19-13-27(14-20-30)11-9-6-4-2/h13-14,18-20,24-25,28,31H,3-12,15-16,21-22H2,1-2H3