4-pyren-1-ylcarbonylbenzenecarbonitrile

Systemtic Name: 4-pyren-1-ylcarbonylbenzenecarbonitrile Openeye Name: 4-(pyrene-1-carbonyl)benzonitrile CAS Name: 4-[oxo(1-pyrenyl)methyl]benzonitrile IUPAC Name: 4-(pyrene-1-carbonyl)benzonitrile Traditional Name: 4-(pyrene-1-carbonyl)benzonitrile Formula: C24H13NO MolecularWeight: 331.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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