4-[4-(4-ethyl-2-methyl-cyclohexyl)cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-ethyl-2-methyl-cyclohexyl)cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-(4-ethyl-2-methyl-cyclohexyl)cyclohexyl]benzonitrile CAS Name: 4-[4-(4-ethyl-2-methylcyclohexyl)cyclohexyl]benzonitrile IUPAC Name: 4-[4-(4-ethyl-2-methylcyclohexyl)cyclohexyl]benzonitrile Traditional Name: 4-[4-(4-ethyl-2-methyl-cyclohexyl)cyclohexyl]benzonitrile Formula: C22H31N MolecularWeight: 309.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)C)C2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1CCC(C(C1)C)C2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H31N/c1-3-17-6-13-22(16(2)14-17)21-11-9-20(10-12-21)19-7-4-18(15-23)5-8-19/h4-5,7-8,16-17,20-22H,3,6,9-14H2,1-2H3