1-[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]-2-(3-pyridin-3-ylpyrazol-1-yl)ethanone

Systemtic Name: 1-[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]-2-(3-pyridin-3-ylpyrazol-1-yl)ethanone Openeye Name: 1-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidin-1-yl]-2-[3-(3-pyridyl)pyrazol-1-yl]ethanone CAS Name: 1-[2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-1-pyrazolidinyl]-2-[3-(3-pyridinyl)-1-pyrazolyl]ethanone IUPAC Name: 1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-(3-pyridin-3-ylpyrazol-1-yl)ethanone Traditional Name: 1-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidin-1-yl]-2-[3-(3-pyridyl)pyrazol-1-yl]ethanone Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O4/c1-31-18-7-6-16(23)21(32-2)20(18)22(30)28-11-4-10-27(28)19(29)14-26-12-8-17(25-26)15-5-3-9-24-13-15/h3,5-9,12-13H,4,10-11,14H2,1-2H3