5-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]-2-propyl-benzenecarbonitrile

Systemtic Name: 5-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]-2-propyl-benzenecarbonitrile Openeye Name: 2-propyl-5-[2-[4-(p-tolyl)cyclohexyl]ethynyl]benzonitrile CAS Name: 5-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]-2-propylbenzonitrile IUPAC Name: 5-[2-[4-(4-methylphenyl)cyclohexyl]ethynyl]-2-propylbenzonitrile Traditional Name: 2-propyl-5-[2-[4-(p-tolyl)cyclohexyl]ethynyl]benzonitrile Formula: C25H27N MolecularWeight: 341.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCC1=C(C=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C25H27N/c1-3-4-22-16-11-21(17-25(22)18-26)8-7-20-9-14-24(15-10-20)23-12-5-19(2)6-13-23/h5-6,11-13,16-17,20,24H,3-4,9-10,14-15H2,1-2H3