1-(4-tert-butylphenyl)cycloheptane-1-carbonitrile

Systemtic Name: 1-(4-tert-butylphenyl)cycloheptane-1-carbonitrile Openeye Name: 1-(4-tert-butylphenyl)cycloheptanecarbonitrile CAS Name: 1-(4-tert-butylphenyl)-1-cycloheptanecarbonitrile IUPAC Name: 1-(4-tert-butylphenyl)cycloheptane-1-carbonitrile Traditional Name: 1-(4-tert-butylphenyl)cycloheptanecarbonitrile Formula: C18H25N MolecularWeight: 255.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2(CCCCCC2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2(CCCCCC2)C#N

InChI

InChI=1S/C18H25N/c1-17(2,3)15-8-10-16(11-9-15)18(14-19)12-6-4-5-7-13-18/h8-11H,4-7,12-13H2,1-3H3