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

Systemtic Name: 3-[(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-3-[(E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 2-hydroxy-3-[(E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]-6-methyl-pyran-4-one Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=CC(=O)C3=C(OC(=CC3=O)C)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C/C(=O)C3=C(OC(=CC3=O)C)O

InChI

InChI=1S/C21H23N3O4/c1-12(2)24-19(8-9-22-24)23-13(3)10-16(15(23)5)6-7-17(25)20-18(26)11-14(4)28-21(20)27/h6-12,27H,1-5H3/b7-6+