3-(4-ethylphenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-ethylphenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-ethylphenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-ethylphenoxy)-7-[(1-phenyl-4-pyrazolyl)methoxy]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-ethylphenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-ethylphenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]-2-(trifluoromethyl)chromone Formula: C28H21F3N2O4 MolecularWeight: 506.47255

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CN(N=C4)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CN(N=C4)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C28H21F3N2O4/c1-2-18-8-10-21(11-9-18)36-26-25(34)23-13-12-22(14-24(23)37-27(26)28(29,30)31)35-17-19-15-32-33(16-19)20-6-4-3-5-7-20/h3-16H,2,17H2,1H3