(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-coumaran-3-one Formula: C27H20N2O4 MolecularWeight: 436.4587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C\C3=CN(N=C3C4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6)/C2=O

InChI

InChI=1S/C27H20N2O4/c1-17-7-9-22-21(13-17)27(30)25(33-22)15-19-16-29(20-5-3-2-4-6-20)28-26(19)18-8-10-23-24(14-18)32-12-11-31-23/h2-10,13-16H,11-12H2,1H3/b25-15-