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

Systemtic Name: 2-pyridin-2-yl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-(2-pyridyl)-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-pyridin-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(2-pyridyl)-2-[4-(3,4,5-trimethoxybenzoyl)piperazino]acetonitrile Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=N3

InChI

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