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

Systemtic Name: 6-ethyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromone Formula: C21H15F3N2O3 MolecularWeight: 400.35061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N2O3/c1-2-12-8-15-17(9-16(12)27)29-20(21(22,23)24)18(19(15)28)13-10-25-26(11-13)14-6-4-3-5-7-14/h3-11,27H,2H2,1H3