4-(4-heptylphenyl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(4-heptylphenyl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-heptylbenzoyl)benzonitrile CAS Name: 4-[(4-heptylphenyl)-oxomethyl]benzonitrile IUPAC Name: 4-(4-heptylbenzoyl)benzonitrile Traditional Name: 4-(4-heptylbenzoyl)benzonitrile Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23NO/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3