2-[[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[(4-p-anisoylpiperazino)methyl]glutaronitrile Formula: C18H22N4O2 MolecularWeight: 326.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(CCC#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(CCC#N)C#N

InChI

InChI=1S/C18H22N4O2/c1-24-17-6-4-16(5-7-17)18(23)22-11-9-21(10-12-22)14-15(13-20)3-2-8-19/h4-7,15H,2-3,9-12,14H2,1H3