2-pyridin-3-yl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethanenitrile chloride

Systemtic Name: 2-pyridin-3-yl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethanenitrile chloride Openeye Name: 2-(3-pyridyl)-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetonitrile chloride CAS Name: 2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile chloride IUPAC Name: 2-pyridin-3-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetonitrile chloride Traditional Name: 2-(3-pyridyl)-2-[4-(3,4,5-trimethoxybenzoyl)piperazino]acetonitrile chloride Formula: C21H24ClN4O4- MolecularWeight: 431.89266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(C#N)C3=CN=CC=C3.[Cl-]

InChI

InChI=1S/C21H24N4O4.ClH/c1-27-18-11-16(12-19(28-2)20(18)29-3)21(26)25-9-7-24(8-10-25)17(13-22)15-5-4-6-23-14-15;/h4-6,11-12,14,17H,7-10H2,1-3H3;1H/p-1