3-[3-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]propanenitrile Openeye Name: 3-[3-(p-tolyl)cyclohexa-1,5-dien-1-yl]propanenitrile CAS Name: 3-[3-(4-methylphenyl)-1-cyclohexa-1,5-dienyl]propanenitrile IUPAC Name: 3-[3-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]propanenitrile Traditional Name: 3-[3-(p-tolyl)cyclohexa-1,5-dien-1-yl]propionitrile Formula: C16H17N MolecularWeight: 223.31288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC=CC(=C2)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC=CC(=C2)CCC#N

InChI

InChI=1S/C16H17N/c1-13-7-9-15(10-8-13)16-6-2-4-14(12-16)5-3-11-17/h2,4,7-10,12,16H,3,5-6H2,1H3