6,7-dimethoxy-4-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cinnoline

Systemtic Name: 6,7-dimethoxy-4-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cinnoline Openeye Name: 6,7-dimethoxy-4-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cinnoline CAS Name: 6,7-dimethoxy-4-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolyl]cinnoline IUPAC Name: 6,7-dimethoxy-4-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cinnoline Traditional Name: 6,7-dimethoxy-4-[1-[3-(trifluoromethyl)benzyl]pyrazol-4-yl]cinnoline Formula: C21H17F3N4O2 MolecularWeight: 414.38049

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=N2)C3=CN(N=C3)CC4=CC(=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C21H17F3N4O2/c1-29-19-7-16-17(10-25-27-18(16)8-20(19)30-2)14-9-26-28(12-14)11-13-4-3-5-15(6-13)21(22,23)24/h3-10,12H,11H2,1-2H3