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

Systemtic Name: 6-methyl-3-[(E)-3-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]pyran-2,4-dione Openeye Name: 6-methyl-3-[(E)-3-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]pyran-2,4-dione CAS Name: 6-methyl-3-[(E)-3-[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(E)-3-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]pyran-2,4-dione Traditional Name: 6-methyl-3-[(E)-3-[3-(o-tolyl)-1-phenyl-pyrazol-4-yl]acryloyl]pyran-2,4-quinone Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C=CC(=O)C3C(=O)C=C(OC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2/C=C/C(=O)C3C(=O)C=C(OC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4/c1-16-8-6-7-11-20(16)24-18(15-27(26-24)19-9-4-3-5-10-19)12-13-21(28)23-22(29)14-17(2)31-25(23)30/h3-15,23H,1-2H3/b13-12+