1-pentyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 1-pentyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-pentyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-pentyl-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-pentyl-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-amyl-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C18H21N MolecularWeight: 251.36604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N/c1-2-3-7-12-18(15-19)13-10-17(11-14-18)16-8-5-4-6-9-16/h4-6,8-11,13-14,17H,2-3,7,12H2,1H3