7,8-dimethoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 7,8-dimethoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7,8-dimethoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7,8-dimethoxy-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7,8-dimethoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7,8-dimethoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromone Formula: C21H15F3N2O4 MolecularWeight: 416.35001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H15F3N2O4/c1-28-15-9-8-14-17(27)16(20(21(22,23)24)30-18(14)19(15)29-2)12-10-25-26(11-12)13-6-4-3-5-7-13/h3-11H,1-2H3