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

Systemtic Name: 2-pyridin-3-yl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]ethanenitrile hydrochloride Openeye Name: 2-(3-pyridyl)-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetonitrile hydrochloride CAS Name: 2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-pyridin-3-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetonitrile hydrochloride Traditional Name: 2-(3-pyridyl)-2-[4-(3,4,5-trimethoxybenzoyl)piperazino]acetonitrile hydrochloride Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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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