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

Systemtic Name: 6-ethyl-3-(4-methoxyphenyl)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one Openeye Name: 6-ethyl-3-(4-methoxyphenyl)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one CAS Name: 6-ethyl-3-(4-methoxyphenyl)-7-[(1-phenyl-4-pyrazolyl)methoxy]-1-benzopyran-4-one IUPAC Name: 6-ethyl-3-(4-methoxyphenyl)-7-[(1-phenylpyrazol-4-yl)methoxy]chromen-4-one Traditional Name: 6-ethyl-3-(4-methoxyphenyl)-7-[(1-phenylpyrazol-4-yl)methoxy]chromone Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O4/c1-3-20-13-24-27(34-18-25(28(24)31)21-9-11-23(32-2)12-10-21)14-26(20)33-17-19-15-29-30(16-19)22-7-5-4-6-8-22/h4-16,18H,3,17H2,1-2H3