4-(2-cyanoethyl)-4-(phenylcarbonyl)heptanedinitrile

Systemtic Name: 4-(2-cyanoethyl)-4-(phenylcarbonyl)heptanedinitrile Openeye Name: 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile CAS Name: 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile IUPAC Name: 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile Traditional Name: 4-benzoyl-4-(2-cyanoethyl)pimelonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N

InChI

InChI=1S/C17H17N3O/c18-12-4-9-17(10-5-13-19,11-6-14-20)16(21)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-11H2