5-(2,6-dimethoxyphenyl)-1-isoquinolin-5-yl-pyrazole-3-carbonyl chloride

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-isoquinolin-5-yl-pyrazole-3-carbonyl chloride Openeye Name: 5-(2,6-dimethoxyphenyl)-1-(5-isoquinolyl)pyrazole-3-carbonyl chloride CAS Name: 5-(2,6-dimethoxyphenyl)-1-(5-isoquinolinyl)-3-pyrazolecarbonyl chloride IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-isoquinolin-5-ylpyrazole-3-carbonyl chloride Traditional Name: 5-(2,6-dimethoxyphenyl)-1-(5-isoquinolyl)pyrazole-3-carbonyl chloride Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=C3C=CN=C4)C(=O)Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=C3C=CN=C4)C(=O)Cl

InChI

InChI=1S/C21H16ClN3O3/c1-27-18-7-4-8-19(28-2)20(18)17-11-15(21(22)26)24-25(17)16-6-3-5-13-12-23-10-9-14(13)16/h3-12H,1-2H3