3-[(E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acryloyl]-6-methyl-pyran-2,4-quinone Formula: C26H18N2O5 MolecularWeight: 438.43152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C26H18N2O5/c1-16-13-21(30)24(26(31)32-16)20(29)12-11-18-15-28(19-8-3-2-4-9-19)27-25(18)23-14-17-7-5-6-10-22(17)33-23/h2-15,24H,1H3/b12-11+