4-[4-(4-heptan-2-ylcyclohexyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-heptan-2-ylcyclohexyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1-methylhexyl)cyclohexyl]phenyl]benzonitrile CAS Name: 4-[4-(4-heptan-2-ylcyclohexyl)phenyl]benzonitrile IUPAC Name: 4-[4-(4-heptan-2-ylcyclohexyl)phenyl]benzonitrile Traditional Name: 4-[4-[4-(1-methylhexyl)cyclohexyl]phenyl]benzonitrile Formula: C26H33N MolecularWeight: 359.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC(C)C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H33N/c1-3-4-5-6-20(2)22-11-13-24(14-12-22)26-17-15-25(16-18-26)23-9-7-21(19-27)8-10-23/h7-10,15-18,20,22,24H,3-6,11-14H2,1-2H3