3-[(E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)C=CC(=O)C3=C(OC(=CC3=O)C)O)OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)/C=C/C(=O)C3=C(OC(=CC3=O)C)O)OC)C

InChI

InChI=1S/C22H22N2O5/c1-13-9-14(2)24(23-13)12-17-11-16(6-8-20(17)28-4)5-7-18(25)21-19(26)10-15(3)29-22(21)27/h5-11,27H,12H2,1-4H3/b7-5+