4-(2-cyanoethyl)-4-ethanoyl-heptanedinitrile

Systemtic Name: 4-(2-cyanoethyl)-4-ethanoyl-heptanedinitrile Openeye Name: 4-acetyl-4-(2-cyanoethyl)heptanedinitrile CAS Name: 4-acetyl-4-(2-cyanoethyl)heptanedinitrile IUPAC Name: 4-acetyl-4-(2-cyanoethyl)heptanedinitrile Traditional Name: 4-acetyl-4-(2-cyanoethyl)pimelonitrile Formula: C12H15N3O MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3