4-[4-(2-pentylcyclopropyl)carbonylphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-pentylcyclopropyl)carbonylphenyl]benzenecarbonitrile Openeye Name: 4-[4-(2-pentylcyclopropanecarbonyl)phenyl]benzonitrile CAS Name: 4-[4-[oxo-(2-pentylcyclopropyl)methyl]phenyl]benzonitrile IUPAC Name: 4-[4-(2-pentylcyclopropanecarbonyl)phenyl]benzonitrile Traditional Name: 4-[4-(2-amylcyclopropanecarbonyl)phenyl]benzonitrile Formula: C22H23NO MolecularWeight: 317.42412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1CC1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23NO/c1-2-3-4-5-20-14-21(20)22(24)19-12-10-18(11-13-19)17-8-6-16(15-23)7-9-17/h6-13,20-21H,2-5,14H2,1H3