2-[[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[(4-m-anisoylpiperazino)methyl]glutaronitrile Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-24-17-6-2-5-16(12-17)18(23)22-10-8-21(9-11-22)14-15(13-20)4-3-7-19/h2,5-6,12,15H,3-4,8-11,14H2,1H3