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

Systemtic Name: 4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]benzonitrile CAS Name: 4-[2-[4-(4-butylcyclohexyl)-1-cyclohexenyl]ethynyl]benzonitrile IUPAC Name: 4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]benzonitrile Traditional Name: 4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]benzonitrile Formula: C25H31N MolecularWeight: 345.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N/c1-2-3-4-20-11-15-24(16-12-20)25-17-13-22(14-18-25)6-5-21-7-9-23(19-26)10-8-21/h7-10,13,20,24-25H,2-4,11-12,14-18H2,1H3