3-(6-methyl-3-phenyl-cyclohexa-1,5-dien-1-yl)propanenitrile

Systemtic Name: 3-(6-methyl-3-phenyl-cyclohexa-1,5-dien-1-yl)propanenitrile Openeye Name: 3-(6-methyl-3-phenyl-cyclohexa-1,5-dien-1-yl)propanenitrile CAS Name: 3-(6-methyl-3-phenyl-1-cyclohexa-1,5-dienyl)propanenitrile IUPAC Name: 3-(6-methyl-3-phenylcyclohexa-1,5-dien-1-yl)propanenitrile Traditional Name: 3-(6-methyl-3-phenyl-cyclohexa-1,5-dien-1-yl)propionitrile Formula: C16H17N MolecularWeight: 223.31288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C=C1CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CCC(C=C1CCC#N)C2=CC=CC=C2

InChI

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