4-[4-(1-propyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(1-propyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(1-propyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile CAS Name: 4-[4-(1-propyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(1-propyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile Traditional Name: 4-[4-(1-propyl-3-bicyclo[1.1.1]pentanyl)phenyl]benzonitrile Formula: C21H21N MolecularWeight: 287.39814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCC12CC(C1)(C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N/c1-2-11-20-13-21(14-20,15-20)19-9-7-18(8-10-19)17-5-3-16(12-22)4-6-17/h3-10H,2,11,13-15H2,1H3