4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzenecarbonitrile

Systemtic Name: 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzenecarbonitrile Openeye Name: 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzonitrile CAS Name: 4-[(10bR,10cR)-10b,10c-dimethyl-1-pyrenyl]benzonitrile IUPAC Name: 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzonitrile Traditional Name: 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzonitrile Formula: C25H19N MolecularWeight: 333.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC=C4C1(C(=C(C=C4)C5=CC=C(C=C5)C#N)C=CC2=CC=C3)C

Isomeric SMILES

C[C@]12C3=CC=C4[C@@]1(C(=C(C=C4)C5=CC=C(C=C5)C#N)C=CC2=CC=C3)C

InChI

InChI=1S/C25H19N/c1-24-19-4-3-5-20(24)13-15-23-22(18-8-6-17(16-26)7-9-18)14-12-21(11-10-19)25(23,24)2/h3-15H,1-2H3/t24-,25-/m1/s1