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

Systemtic Name: 4-(2-cyanoethyl)-4-(4-methylphenyl)carbonyl-heptanedinitrile Openeye Name: 4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile CAS Name: 4-(2-cyanoethyl)-4-[(4-methylphenyl)-oxomethyl]heptanedinitrile IUPAC Name: 4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile Traditional Name: 4-(2-cyanoethyl)-4-p-toluoyl-pimelonitrile Formula: C18H19N3O MolecularWeight: 293.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N

InChI

InChI=1S/C18H19N3O/c1-15-5-7-16(8-6-15)17(22)18(9-2-12-19,10-3-13-20)11-4-14-21/h5-8H,2-4,9-11H2,1H3