6-ethyl-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-ethyl-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-benzyloxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-7-phenylmethoxy-3-[(1-phenyl-4-pyrazolyl)oxy]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-benzoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromone Formula: C28H21F3N2O4 MolecularWeight: 506.47255

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CN(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CN(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

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