4-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)butanenitrile

Systemtic Name: 4-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)butanenitrile Openeye Name: 4-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)butanenitrile CAS Name: 4-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)butanenitrile IUPAC Name: 4-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)butanenitrile Traditional Name: 4-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)butyronitrile Formula: C21H27N MolecularWeight: 293.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)CCCC#N

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)CCCC#N

InChI

InChI=1S/C21H27N/c1-2-3-7-14-21(15-8-9-18-22)16-12-20(13-17-21)19-10-5-4-6-11-19/h4-6,10-13,16-17,20H,2-3,7-9,14-15H2,1H3