2-(4-bromophenyl)-5-butyl-benzenecarbonitrile

Systemtic Name: 2-(4-bromophenyl)-5-butyl-benzenecarbonitrile Openeye Name: 2-(4-bromophenyl)-5-butyl-benzonitrile CAS Name: 2-(4-bromophenyl)-5-butylbenzonitrile IUPAC Name: 2-(4-bromophenyl)-5-butylbenzonitrile Traditional Name: 2-(4-bromophenyl)-5-butyl-benzonitrile Formula: C17H16BrN MolecularWeight: 314.21964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C17H16BrN/c1-2-3-4-13-5-10-17(15(11-13)12-19)14-6-8-16(18)9-7-14/h5-11H,2-4H2,1H3