1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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