2-[4-[2-(6-methoxypyridin-3-yl)-5-prop-1-en-2-yl-pyrazol-3-yl]phenoxy]ethanamine dihydrochloride

Systemtic Name: 2-[4-[2-(6-methoxypyridin-3-yl)-5-prop-1-en-2-yl-pyrazol-3-yl]phenoxy]ethanamine dihydrochloride Openeye Name: 2-[4-[5-isopropenyl-2-(6-methoxy-3-pyridyl)pyrazol-3-yl]phenoxy]ethanamine dihydrochloride CAS Name: 2-[4-[2-(6-methoxy-3-pyridinyl)-5-(1-methylethenyl)-3-pyrazolyl]phenoxy]ethanamine dihydrochloride IUPAC Name: 2-[4-[2-(6-methoxypyridin-3-yl)-5-prop-1-en-2-ylpyrazol-3-yl]phenoxy]ethanamine dihydrochloride Traditional Name: 2-[4-[5-isopropenyl-2-(6-methoxy-3-pyridyl)pyrazol-3-yl]phenoxy]ethylamine dihydrochloride Formula: C20H24Cl2N4O2 MolecularWeight: 423.33616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=NN(C(=C1)C2=CC=C(C=C2)OCCN)C3=CN=C(C=C3)OC.Cl.Cl

Isomeric SMILES

CC(=C)C1=NN(C(=C1)C2=CC=C(C=C2)OCCN)C3=CN=C(C=C3)OC.Cl.Cl

InChI

InChI=1S/C20H22N4O2.2ClH/c1-14(2)18-12-19(15-4-7-17(8-5-15)26-11-10-21)24(23-18)16-6-9-20(25-3)22-13-16;;/h4-9,12-13H,1,10-11,21H2,2-3H3;2*1H