N-(2,6-dimethylphenyl)-2-[4-(6-ethoxypyridin-3-yl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(6-ethoxypyridin-3-yl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(6-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(6-ethoxynicotinoyl)piperazino]acetamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC1=NC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H28N4O3/c1-4-29-20-9-8-18(14-23-20)22(28)26-12-10-25(11-13-26)15-19(27)24-21-16(2)6-5-7-17(21)3/h5-9,14H,4,10-13,15H2,1-3H3,(H,24,27)