3-(4-heptylphenyl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-heptylphenyl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-heptylbenzoyl)benzonitrile CAS Name: 3-[(4-heptylphenyl)-oxomethyl]benzonitrile IUPAC Name: 3-(4-heptylbenzoyl)benzonitrile Traditional Name: 3-(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=CC(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO/c1-2-3-4-5-6-8-17-11-13-19(14-12-17)21(23)20-10-7-9-18(15-20)16-22/h7,9-15H,2-6,8H2,1H3