6-methyl-2-oxidanyl-3-[(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]pyran-4-one

Systemtic Name: 6-methyl-2-oxidanyl-3-[(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]pyran-4-one Openeye Name: 3-[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[(E)-1-oxo-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]-4-pyranone IUPAC Name: 3-[(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4/c1-17-14-22(29)23(25(30)31-17)21(28)13-12-20-16-27(15-18-8-4-2-5-9-18)26-24(20)19-10-6-3-7-11-19/h2-14,16,30H,15H2,1H3/b13-12+