4-(4-chlorophenyl)carbonyl-4-(2-cyanoethyl)heptanedinitrile

Systemtic Name: 4-(4-chlorophenyl)carbonyl-4-(2-cyanoethyl)heptanedinitrile Openeye Name: 4-(4-chlorobenzoyl)-4-(2-cyanoethyl)heptanedinitrile CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-4-(2-cyanoethyl)heptanedinitrile IUPAC Name: 4-(4-chlorobenzoyl)-4-(2-cyanoethyl)heptanedinitrile Traditional Name: 4-(4-chlorobenzoyl)-4-(2-cyanoethyl)pimelonitrile Formula: C17H16ClN3O MolecularWeight: 313.78144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CCC#N)(CCC#N)CCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CCC#N)(CCC#N)CCC#N)Cl

InChI

InChI=1S/C17H16ClN3O/c18-15-6-4-14(5-7-15)16(22)17(8-1-11-19,9-2-12-20)10-3-13-21/h4-7H,1-3,8-10H2