4-ethanoyl-4-pentyl-heptanedinitrile

Systemtic Name: 4-ethanoyl-4-pentyl-heptanedinitrile Openeye Name: 4-acetyl-4-pentyl-heptanedinitrile CAS Name: 4-acetyl-4-pentylheptanedinitrile IUPAC Name: 4-acetyl-4-pentylheptanedinitrile Traditional Name: 4-acetyl-4-amyl-pimelonitrile Formula: C14H22N2O MolecularWeight: 234.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC#N)(CCC#N)C(=O)C

Isomeric SMILES

CCCCCC(CCC#N)(CCC#N)C(=O)C

InChI

InChI=1S/C14H22N2O/c1-3-4-5-8-14(13(2)17,9-6-11-15)10-7-12-16/h3-10H2,1-2H3