2-cyclohexyl-4-heptan-4-yl-benzenecarbonitrile

Systemtic Name: 2-cyclohexyl-4-heptan-4-yl-benzenecarbonitrile Openeye Name: 2-cyclohexyl-4-(1-propylbutyl)benzonitrile CAS Name: 2-cyclohexyl-4-heptan-4-ylbenzonitrile IUPAC Name: 2-cyclohexyl-4-heptan-4-ylbenzonitrile Traditional Name: 2-cyclohexyl-4-(1-propylbutyl)benzonitrile Formula: C20H29N MolecularWeight: 283.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC(=C(C=C1)C#N)C2CCCCC2

Isomeric SMILES

CCCC(CCC)C1=CC(=C(C=C1)C#N)C2CCCCC2

InChI

InChI=1S/C20H29N/c1-3-8-16(9-4-2)18-12-13-19(15-21)20(14-18)17-10-6-5-7-11-17/h12-14,16-17H,3-11H2,1-2H3