3-(2-methylbutyl)-4-phenyl-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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