3-pentan-2-yl-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-pentan-2-yl-4-phenyl-benzenecarbonitrile Openeye Name: 3-(1-methylbutyl)-4-phenyl-benzonitrile CAS Name: 3-pentan-2-yl-4-phenylbenzonitrile IUPAC Name: 3-pentan-2-yl-4-phenylbenzonitrile Traditional Name: 3-(1-methylbutyl)-4-phenyl-benzonitrile Formula: C18H19N MolecularWeight: 249.35016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N/c1-3-7-14(2)18-12-15(13-19)10-11-17(18)16-8-5-4-6-9-16/h4-6,8-12,14H,3,7H2,1-2H3