2-heptyl-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 2-heptyl-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 2-heptyl-1-phenyl-cyclohexanecarbonitrile CAS Name: 2-heptyl-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 2-heptyl-1-phenylcyclohexane-1-carbonitrile Traditional Name: 2-heptyl-1-phenyl-cyclohexanecarbonitrile Formula: C20H29N MolecularWeight: 283.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCCCC1(C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1CCCCC1(C#N)C2=CC=CC=C2

InChI

InChI=1S/C20H29N/c1-2-3-4-5-7-12-19-15-10-11-16-20(19,17-21)18-13-8-6-9-14-18/h6,8-9,13-14,19H,2-5,7,10-12,15-16H2,1H3