3-[(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O4/c1-13-11-19(25)20(21(26)27-13)18(24)10-9-17-14(2)22-23(15(17)3)12-16-7-5-4-6-8-16/h4-11,26H,12H2,1-3H3/b10-9+