2-[4-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]phenyl]ethanenitrile Openeye Name: 2-[4-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]phenyl]acetonitrile CAS Name: 2-[4-[(E)-3-(1-cyclohepta-2,4,6-trienyl)but-1-enyl]phenyl]acetonitrile IUPAC Name: 2-[4-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]phenyl]acetonitrile Traditional Name: 2-[4-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]phenyl]acetonitrile Formula: C19H19N MolecularWeight: 261.36086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=C(C=C1)CC#N)C2C=CC=CC=C2

Isomeric SMILES

CC(/C=C/C1=CC=C(C=C1)CC#N)C2C=CC=CC=C2

InChI

InChI=1S/C19H19N/c1-16(19-6-4-2-3-5-7-19)8-9-17-10-12-18(13-11-17)14-15-20/h2-13,16,19H,14H2,1H3/b9-8+