4-(4-heptyl-4-methyl-cyclohexyl)benzenecarbonitrile

Systemtic Name: 4-(4-heptyl-4-methyl-cyclohexyl)benzenecarbonitrile Openeye Name: 4-(4-heptyl-4-methyl-cyclohexyl)benzonitrile CAS Name: 4-(4-heptyl-4-methylcyclohexyl)benzonitrile IUPAC Name: 4-(4-heptyl-4-methylcyclohexyl)benzonitrile Traditional Name: 4-(4-heptyl-4-methyl-cyclohexyl)benzonitrile Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C21H31N/c1-3-4-5-6-7-14-21(2)15-12-20(13-16-21)19-10-8-18(17-22)9-11-19/h8-11,20H,3-7,12-16H2,1-2H3