5-[5-(2,6-dimethoxyphenyl)-3-methyl-pyrazol-1-yl]isoquinoline chloride

Systemtic Name: 5-[5-(2,6-dimethoxyphenyl)-3-methyl-pyrazol-1-yl]isoquinoline chloride Openeye Name: 5-[5-(2,6-dimethoxyphenyl)-3-methyl-pyrazol-1-yl]isoquinoline chloride CAS Name: 5-[5-(2,6-dimethoxyphenyl)-3-methyl-1-pyrazolyl]isoquinoline chloride IUPAC Name: 5-[5-(2,6-dimethoxyphenyl)-3-methylpyrazol-1-yl]isoquinoline chloride Traditional Name: 5-[5-(2,6-dimethoxyphenyl)-3-methyl-pyrazol-1-yl]isoquinoline chloride Formula: C21H19ClN3O2- MolecularWeight: 380.84746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=C(C=CC=C2OC)OC)C3=CC=CC4=C3C=CN=C4.[Cl-]

Isomeric SMILES

CC1=NN(C(=C1)C2=C(C=CC=C2OC)OC)C3=CC=CC4=C3C=CN=C4.[Cl-]

InChI

InChI=1S/C21H19N3O2.ClH/c1-14-12-18(21-19(25-2)8-5-9-20(21)26-3)24(23-14)17-7-4-6-15-13-22-11-10-16(15)17;/h4-13H,1-3H3;1H/p-1