1-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone

Systemtic Name: 1-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone Openeye Name: 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-[3-(4-pyridyl)pyrazol-1-yl]ethanone CAS Name: 1-[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]-2-(3-pyridin-4-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone Traditional Name: 1-[2-(2,6-dimethoxynicotinoyl)pyrazolidin-1-yl]-2-[3-(4-pyridyl)pyrazol-1-yl]ethanone Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)CN3C=CC(=N3)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)CN3C=CC(=N3)C4=CC=NC=C4)OC

InChI

InChI=1S/C21H22N6O4/c1-30-18-5-4-16(20(23-18)31-2)21(29)27-12-3-11-26(27)19(28)14-25-13-8-17(24-25)15-6-9-22-10-7-15/h4-10,13H,3,11-12,14H2,1-2H3