2-[[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-(3,5-dimethylbenzoyl)piperazin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-(3,5-dimethylbenzoyl)piperazin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[[4-(3,5-dimethylbenzoyl)piperazino]methyl]glutaronitrile Formula: C19H24N4O MolecularWeight: 324.42006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(CCC#N)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(CCC#N)C#N)C

InChI

InChI=1S/C19H24N4O/c1-15-10-16(2)12-18(11-15)19(24)23-8-6-22(7-9-23)14-17(13-21)4-3-5-20/h10-12,17H,3-4,6-9,14H2,1-2H3