4-(2-pentanoylphenyl)benzenecarbonitrile

Systemtic Name: 4-(2-pentanoylphenyl)benzenecarbonitrile Openeye Name: 4-(2-pentanoylphenyl)benzonitrile CAS Name: 4-[2-(1-oxopentyl)phenyl]benzonitrile IUPAC Name: 4-(2-pentanoylphenyl)benzonitrile Traditional Name: 4-(2-valerylphenyl)benzonitrile Formula: C18H17NO MolecularWeight: 263.33368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17NO/c1-2-3-8-18(20)17-7-5-4-6-16(17)15-11-9-14(13-19)10-12-15/h4-7,9-12H,2-3,8H2,1H3