3,5-dimethyl-4-pyren-1-yl-benzenecarbonitrile

Systemtic Name: 3,5-dimethyl-4-pyren-1-yl-benzenecarbonitrile Openeye Name: 3,5-dimethyl-4-pyren-1-yl-benzonitrile CAS Name: 3,5-dimethyl-4-(1-pyrenyl)benzonitrile IUPAC Name: 3,5-dimethyl-4-pyren-1-ylbenzonitrile Traditional Name: 3,5-dimethyl-4-pyren-1-yl-benzonitrile Formula: C25H17N MolecularWeight: 331.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C)C#N

InChI

InChI=1S/C25H17N/c1-15-12-17(14-26)13-16(2)23(15)21-10-9-20-7-6-18-4-3-5-19-8-11-22(21)25(20)24(18)19/h3-13H,1-2H3