4-(2-pyren-1-ylethyl)benzenecarbonitrile

Systemtic Name: 4-(2-pyren-1-ylethyl)benzenecarbonitrile Openeye Name: 4-(2-pyren-1-ylethyl)benzonitrile CAS Name: 4-[2-(1-pyrenyl)ethyl]benzonitrile IUPAC Name: 4-(2-pyren-1-ylethyl)benzonitrile Traditional Name: 4-(2-pyren-1-ylethyl)benzonitrile Formula: C25H17N MolecularWeight: 331.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H17N/c26-16-18-6-4-17(5-7-18)8-9-19-10-11-22-13-12-20-2-1-3-21-14-15-23(19)25(22)24(20)21/h1-7,10-15H,8-9H2