6-ethyl-3-(4-fluoranylphenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one

Systemtic Name: 6-ethyl-3-(4-fluoranylphenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one Openeye Name: 6-ethyl-3-(4-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one CAS Name: 6-ethyl-3-(4-fluorophenoxy)-7-[(1-phenyl-4-pyrazolyl)methoxy]-1-benzopyran-4-one IUPAC Name: 6-ethyl-3-(4-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one Traditional Name: 6-ethyl-3-(4-fluorophenoxy)-7-[(1-phenylpyrazol-4-yl)methoxy]chromone Formula: C27H21FN2O4 MolecularWeight: 456.465043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)F)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)F)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21FN2O4/c1-2-19-12-23-25(33-17-26(27(23)31)34-22-10-8-20(28)9-11-22)13-24(19)32-16-18-14-29-30(15-18)21-6-4-3-5-7-21/h3-15,17H,2,16H2,1H3