3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]chromen-4-one

Systemtic Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]chromen-4-one Openeye Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]chroman-4-one CAS Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]chromen-4-one Traditional Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]chroman-4-one Formula: C27H20N2O4 MolecularWeight: 436.4587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4COC5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4COC5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C27H20N2O4/c30-27-20(17-33-23-9-5-4-8-22(23)27)14-19-16-29(21-6-2-1-3-7-21)28-26(19)18-10-11-24-25(15-18)32-13-12-31-24/h1-11,14-16H,12-13,17H2