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

Systemtic Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzonitrile CAS Name: 3-[(E)-3-(1-cyclohepta-2,4,6-trienyl)but-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzonitrile Formula: C18H17N MolecularWeight: 247.33428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N/c1-15(18-9-4-2-3-5-10-18)11-12-16-7-6-8-17(13-16)14-19/h2-13,15,18H,1H3/b12-11+