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

Systemtic Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile CAS Name: 4-[4-[2-[4-(4-butylcyclohexyl)-1-cyclohexenyl]ethynyl]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzonitrile Formula: C31H35N MolecularWeight: 421.6163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(=CC2)C#CC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C31H35N/c1-2-3-4-24-7-15-28(16-8-24)29-17-9-25(10-18-29)5-6-26-11-19-30(20-12-26)31-21-13-27(23-32)14-22-31/h9,11-14,19-22,24,28-29H,2-4,7-8,10,15-18H2,1H3