3-cyclohexyl-2-pentan-2-yl-benzenecarbonitrile

Systemtic Name: 3-cyclohexyl-2-pentan-2-yl-benzenecarbonitrile Openeye Name: 3-cyclohexyl-2-(1-methylbutyl)benzonitrile CAS Name: 3-cyclohexyl-2-pentan-2-ylbenzonitrile IUPAC Name: 3-cyclohexyl-2-pentan-2-ylbenzonitrile Traditional Name: 3-cyclohexyl-2-(1-methylbutyl)benzonitrile Formula: C18H25N MolecularWeight: 255.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(C=CC=C1C2CCCCC2)C#N

Isomeric SMILES

CCCC(C)C1=C(C=CC=C1C2CCCCC2)C#N

InChI

InChI=1S/C18H25N/c1-3-8-14(2)18-16(13-19)11-7-12-17(18)15-9-5-4-6-10-15/h7,11-12,14-15H,3-6,8-10H2,1-2H3