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

Systemtic Name: 1-[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone Openeye Name: 1-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidin-1-yl]-2-[3-(4-pyridyl)pyrazol-1-yl]ethanone CAS Name: 1-[2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-1-pyrazolidinyl]-2-(3-pyridin-4-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone Traditional Name: 1-[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidin-1-yl]-2-[3-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O4/c1-31-18-5-4-16(23)21(32-2)20(18)22(30)28-12-3-11-27(28)19(29)14-26-13-8-17(25-26)15-6-9-24-10-7-15/h4-10,13H,3,11-12,14H2,1-2H3