(2Z)-5-methyl-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-methyl-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-coumaran-3-one Formula: C28H22N2O3 MolecularWeight: 434.48588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)/C2=O

InChI

InChI=1S/C28H22N2O3/c1-3-15-32-23-12-10-20(11-13-23)27-21(18-30(29-27)22-7-5-4-6-8-22)17-26-28(31)24-16-19(2)9-14-25(24)33-26/h3-14,16-18H,1,15H2,2H3/b26-17-