4-(6-methanoylpyren-1-yl)benzenecarbonitrile

Systemtic Name: 4-(6-methanoylpyren-1-yl)benzenecarbonitrile Openeye Name: 4-(6-formylpyren-1-yl)benzonitrile CAS Name: 4-(6-formyl-1-pyrenyl)benzonitrile IUPAC Name: 4-(6-formylpyren-1-yl)benzonitrile Traditional Name: 4-(6-formylpyren-1-yl)benzonitrile Formula: C24H13NO MolecularWeight: 331.36612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3)C5=CC=C(C=C5)C#N)C=O

Isomeric SMILES

C1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3)C5=CC=C(C=C5)C#N)C=O

InChI

InChI=1S/C24H13NO/c25-13-15-1-3-16(4-2-15)20-10-7-18-8-11-21-19(14-26)6-5-17-9-12-22(20)24(18)23(17)21/h1-12,14H