2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(3-cyano-2-pyridyl)piperazino]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C21H25N5O4/c1-28-17-11-16(12-18(29-2)20(17)30-3)24-19(27)14-25-7-9-26(10-8-25)21-15(13-22)5-4-6-23-21/h4-6,11-12H,7-10,14H2,1-3H3,(H,24,27)