4-[4-(4-hexan-2-ylphenyl)cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-hexan-2-ylphenyl)cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1-methylpentyl)phenyl]cyclohexyl]benzonitrile CAS Name: 4-[4-(4-hexan-2-ylphenyl)cyclohexyl]benzonitrile IUPAC Name: 4-[4-(4-hexan-2-ylphenyl)cyclohexyl]benzonitrile Traditional Name: 4-[4-[4-(1-methylpentyl)phenyl]cyclohexyl]benzonitrile Formula: C25H31N MolecularWeight: 345.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC=C(C=C1)C2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC(C)C1=CC=C(C=C1)C2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N/c1-3-4-5-19(2)21-10-12-23(13-11-21)25-16-14-24(15-17-25)22-8-6-20(18-26)7-9-22/h6-13,19,24-25H,3-5,14-17H2,1-2H3