2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(1-ethylpyrazol-4-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(1-ethylpyrazol-4-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(1-ethylpyrazol-4-yl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[(1-ethyl-4-pyrazolyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(1-ethylpyrazol-4-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(1-ethylpyrazol-4-yl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(C2=C(CC(CC2=O)(C)C)O)C3=C(CC(CC3=O)(C)C)O

Isomeric SMILES

CCN1C=C(C=N1)C(C2=C(CC(CC2=O)(C)C)O)C3=C(CC(CC3=O)(C)C)O

InChI

InChI=1S/C22H30N2O4/c1-6-24-12-13(11-23-24)18(19-14(25)7-21(2,3)8-15(19)26)20-16(27)9-22(4,5)10-17(20)28/h11-12,18,25,27H,6-10H2,1-5H3