3-hexyl-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-hexyl-4-phenyl-benzenecarbonitrile Openeye Name: 3-hexyl-4-phenyl-benzonitrile CAS Name: 3-hexyl-4-phenylbenzonitrile IUPAC Name: 3-hexyl-4-phenylbenzonitrile Traditional Name: 3-hexyl-4-phenyl-benzonitrile Formula: C19H21N MolecularWeight: 263.37674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C19H21N/c1-2-3-4-6-11-18-14-16(15-20)12-13-19(18)17-9-7-5-8-10-17/h5,7-10,12-14H,2-4,6,11H2,1H3